(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

C178H313F3N24O24 — CID 165046547

IUPAC(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(C[C@@H]2C)OCC(CN2CCC(C)(F)C2)CO3)C1=O.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)CCN1C.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)CCN1C
InChIInChI=1S/C31H54N4O4.C30H53FN4O4.C30H52N4O4.2C29H51FN4O4.C29H52N4O4/c1-23(2)18-26-29(37)35(17-16-32(26)5)27(19-24(3)4)28(36)34-14-10-31(11-15-34)38-21-25(22-39-31)20-33-12-8-30(6-7-30)9-13-33;1-22(2)17-25-28(37)35(16-15-32(25)6)26(18-23(3)4)27(36)34-13-9-30(10-14-34)38-20-24(21-39-30)19-33-11-7-29(5,31)8-12-33;1-22(2)17-25-27(35)34(16-11-31-25)26(18-23(3)4)28(36)33-14-9-30(10-15-33)37-20-24(21-38-30)19-32-12-7-29(5-6-29)8-13-32;1-21(2)16-24-26(35)34(15-10-31-24)25(17-22(3)4)27(36)33-13-8-29(9-14-33)37-19-23(20-38-29)18-32-11-6-28(5,30)7-12-32;1-20(2)13-24-26(35)34(12-9-31-24)25(14-21(3)4)27(36)33-11-8-29(15-22(33)5)37-17-23(18-38-29)16-32-10-7-28(6,30)19-32;1-21(2)16-25-27(34)33(15-10-30-25)26(17-22(3)4)28(35)32-13-8-29(9-14-32)36-19-24(20-37-29)18-31-11-6-23(5)7-12-31/h23-27H,6-22H2,1-5H3;22-26H,7-21H2,1-6H3;22-26,31H,5-21H2,1-4H3;21-25,31H,6-20H2,1-5H3;20-25,31H,7-19H2,1-6H3;21-26,30H,6-20H2,1-5H3/t26-,27-;2*25-,26-;24-,25-;22-,23?,24-,25-,28?,29?;25-,26-/m000000/s1
InChIKeyOZODHOIRJPLHOK-UNRATUSUSA-N
MW3230.60 g/mol
LogP19.01
Rot. Bonds48

About (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 165046547) has the molecular formula C178H313F3N24O24 and a molecular weight of 3230.60 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID165046547
Molecular FormulaC178H313F3N24O24
Molecular Weight3230.60 g/mol
Exact Mass3228.40
IUPAC Name(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(C[C@@H]2C)OCC(CN2CCC(C)(F)C2)CO3)C1=O.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)CCN1C.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)CCN1C
InChIInChI=1S/C31H54N4O4.C30H53FN4O4.C30H52N4O4.2C29H51FN4O4.C29H52N4O4/c1-23(2)18-26-29(37)35(17-16-32(26)5)27(19-24(3)4)28(36)34-14-10-31(11-15-34)38-21-25(22-39-31)20-33-12-8-30(6-7-30)9-13-33;1-22(2)17-25-28(37)35(16-15-32(25)6)26(18-23(3)4)27(36)34-13-9-30(10-14-34)38-20-24(21-39-30)19-33-11-7-29(5,31)8-12-33;1-22(2)17-25-27(35)34(16-11-31-25)26(18-23(3)4)28(36)33-14-9-30(10-15-33)37-20-24(21-38-30)19-32-12-7-29(5-6-29)8-13-32;1-21(2)16-24-26(35)34(15-10-31-24)25(17-22(3)4)27(36)33-13-8-29(9-14-33)37-19-23(20-38-29)18-32-11-6-28(5,30)7-12-32;1-20(2)13-24-26(35)34(12-9-31-24)25(14-21(3)4)27(36)33-11-8-29(15-22(33)5)37-17-23(18-38-29)16-32-10-7-28(6,30)19-32;1-21(2)16-25-27(34)33(15-10-30-25)26(17-22(3)4)28(35)32-13-8-29(9-14-32)36-19-24(20-37-29)18-31-11-6-23(5)7-12-31/h23-27H,6-22H2,1-5H3;22-26H,7-21H2,1-6H3;22-26,31H,5-21H2,1-4H3;21-25,31H,6-20H2,1-5H3;20-25,31H,7-19H2,1-6H3;21-26,30H,6-20H2,1-5H3/t26-,27-;2*25-,26-;24-,25-;22-,23?,24-,25-,28?,29?;25-,26-/m000000/s1
InChIKeyOZODHOIRJPLHOK-UNRATUSUSA-N
XLogP19.01
TPSA428.52 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003230.60
LogP ≤ 519.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(2S)-1-[9-(dimethylamino)-3-azaspiro[5.5]undecan-3-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(dimethylamino)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-4-[(4-fluorophenyl)methyl]-1-[(2S)-4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;bis((3S)-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(pyrrolidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one)
CID 165051110
(3S)-1-[(2S)-1-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-(6-azaspiro[2.5]octan-6-ylmethyl)-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(2'S)-5-(dimethylamino)-2'-methylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-4-methyl-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(pyrrolidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(piperidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 165029846
(3S)-1-[(2S)-1-[(10S)-3-(azetidin-1-ylmethyl)-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685653
(3S)-1-[(2S)-1-[3-(azetidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138748972
(3S)-1-[(2S)-1-[(10S)-3-(6-azaspiro[2.5]octan-6-ylmethyl)-3-ethyl-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138749147
(3S)-1-[(2S)-1-[3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685660
(3S)-1-[(2S)-1-[3-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 167156806
(3S)-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(pyrazol-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685846
(3S)-1-[(2S)-1-[(10S)-3-(azetidin-1-ylmethyl)-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-propylpiperazin-2-one
CID 171431819
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
(3S)-1-[(2S)-1-[(2'S)-5-(dimethylamino)-2'-methylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138748994
(3S)-1-[(2S)-1-[3-[(dimethylamino)methyl]-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685278

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (CID 165046547) is (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)CC2)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC3(C[C@@H]2C)OCC(CN2CCC(C)(F)C2)CO3)C1=O.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC(C)(F)CC2)CO3)CCN1C.CC(C)C[C@H]1C(=O)N([C@@H](CC(C)C)C(=O)N2CCC3(CC2)OCC(CN2CCC4(CC2)CC4)CO3)CCN1C.
What is the InChIKey of (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is OZODHOIRJPLHOK-UNRATUSUSA-N. The full InChI is InChI=1S/C31H54N4O4.C30H53FN4O4.C30H52N4O4.2C29H51FN4O4.C29H52N4O4/c1-23(2)18-26-29(37)35(17-16-32(26)5)27(19-24(3)4)28(36)34-14-10-31(11-15-34)38-21-25(22-39-31)20-33-12-8-30(6-7-30)9-13-33;1-22(2)17-25-28(37)35(16-15-32(25)6)26(18-23(3)4)27(36)34-13-9-30(10-14-34)38-20-24(21-39-30)19-33-11-7-29(5,31)8-12-33;1-22(2)17-25-27(35)34(16-11-31-25)26(18-23(3)4)28(36)33-14-9-30(10-15-33)37-20-24(21-38-30)19-32-12-7-29(5-6-29)8-13-32;1-21(2)16-24-26(35)34(15-10-31-24)25(17-22(3)4)27(36)33-13-8-29(9-14-33)37-19-23(20-38-29)18-32-11-6-28(5,30)7-12-32;1-20(2)13-24-26(35)34(12-9-31-24)25(14-21(3)4)27(36)33-11-8-29(15-22(33)5)37-17-23(18-38-29)16-32-10-7-28(6,30)19-32;1-21(2)16-25-27(34)33(15-10-30-25)26(17-22(3)4)28(35)32-13-8-29(9-14-32)36-19-24(20-37-29)18-31-11-6-23(5)7-12-31/h23-27H,6-22H2,1-5H3;22-26H,7-21H2,1-6H3;22-26,31H,5-21H2,1-4H3;21-25,31H,6-20H2,1-5H3;20-25,31H,7-19H2,1-6H3;21-26,30H,6-20H2,1-5H3/t26-,27-;2*25-,26-;24-,25-;22-,23?,24-,25-,28?,29?;25-,26-/m000000/s1.
What are the key properties of (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 3230.60 g/mol, XLogP of 19.01, 48 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-(6-azaspiro[2.5]octan-6-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 165046547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).