8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one

C128H174N26O6 — CID 160844680

IUPAC8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cccnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCCCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCNCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCOCC3)c1)C(=O)N2.CN1CCN(c2cc(CN3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccn2)CC1
InChIInChI=1S/C27H38N6O.C27H37N5O.C26H36N6O.C26H35N5O2.C22H28N4O/c1-30(2)27(23-7-5-4-6-8-23)12-10-26(11-13-27)21-33(25(34)29-26)20-22-9-14-28-24(19-22)32-17-15-31(3)16-18-32;1-30(2)27(23-9-5-3-6-10-23)14-12-26(13-15-27)21-32(25(33)29-26)20-22-11-16-28-24(19-22)31-17-7-4-8-18-31;1-30(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-32(24(33)29-25)19-21-8-13-28-23(18-21)31-16-14-27-15-17-31;1-29(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-31(24(32)28-25)19-21-8-13-27-23(18-21)30-14-16-33-17-15-30;1-25(2)22(19-8-4-3-5-9-19)12-10-21(11-13-22)17-26(20(27)24-21)16-18-7-6-14-23-15-18/h4-9,14,19H,10-13,15-18,20-21H2,1-3H3,(H,29,34);3,5-6,9-11,16,19H,4,7-8,12-15,17-18,20-21H2,1-2H3,(H,29,33);3-8,13,18,27H,9-12,14-17,19-20H2,1-2H3,(H,29,33);3-8,13,18H,9-12,14-17,19-20H2,1-2H3,(H,28,32);3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)
InChIKeySIMIMOBIBJTMEO-UHFFFAOYSA-N
MW2172.98 g/mol
LogP16.87
Rot. Bonds24

About 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160844680) has the molecular formula C128H174N26O6 and a molecular weight of 2172.98 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160844680
Molecular FormulaC128H174N26O6
Molecular Weight2172.98 g/mol
Exact Mass2171.41
IUPAC Name8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cccnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCCCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCNCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCOCC3)c1)C(=O)N2.CN1CCN(c2cc(CN3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccn2)CC1
InChIInChI=1S/C27H38N6O.C27H37N5O.C26H36N6O.C26H35N5O2.C22H28N4O/c1-30(2)27(23-7-5-4-6-8-23)12-10-26(11-13-27)21-33(25(34)29-26)20-22-9-14-28-24(19-22)32-17-15-31(3)16-18-32;1-30(2)27(23-9-5-3-6-10-23)14-12-26(13-15-27)21-32(25(33)29-26)20-22-11-16-28-24(19-22)31-17-7-4-8-18-31;1-30(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-32(24(33)29-25)19-21-8-13-28-23(18-21)31-16-14-27-15-17-31;1-29(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-31(24(32)28-25)19-21-8-13-27-23(18-21)30-14-16-33-17-15-30;1-25(2)22(19-8-4-3-5-9-19)12-10-21(11-13-22)17-26(20(27)24-21)16-18-7-6-14-23-15-18/h4-9,14,19H,10-13,15-18,20-21H2,1-3H3,(H,29,34);3,5-6,9-11,16,19H,4,7-8,12-15,17-18,20-21H2,1-2H3,(H,29,33);3-8,13,18,27H,9-12,14-17,19-20H2,1-2H3,(H,29,33);3-8,13,18H,9-12,14-17,19-20H2,1-2H3,(H,28,32);3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)
InChIKeySIMIMOBIBJTMEO-UHFFFAOYSA-N
XLogP16.87
TPSA279.81 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.98
LogP ≤ 516.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 160844680) is 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cccnc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCCCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCNCC3)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccnc(N3CCOCC3)c1)C(=O)N2.CN1CCN(c2cc(CN3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccn2)CC1.
What is the InChIKey of 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SIMIMOBIBJTMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O.C27H37N5O.C26H36N6O.C26H35N5O2.C22H28N4O/c1-30(2)27(23-7-5-4-6-8-23)12-10-26(11-13-27)21-33(25(34)29-26)20-22-9-14-28-24(19-22)32-17-15-31(3)16-18-32;1-30(2)27(23-9-5-3-6-10-23)14-12-26(13-15-27)21-32(25(33)29-26)20-22-11-16-28-24(19-22)31-17-7-4-8-18-31;1-30(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-32(24(33)29-25)19-21-8-13-28-23(18-21)31-16-14-27-15-17-31;1-29(2)26(22-6-4-3-5-7-22)11-9-25(10-12-26)20-31(24(32)28-25)19-21-8-13-27-23(18-21)30-14-16-33-17-15-30;1-25(2)22(19-8-4-3-5-9-19)12-10-21(11-13-22)17-26(20(27)24-21)16-18-7-6-14-23-15-18/h4-9,14,19H,10-13,15-18,20-21H2,1-3H3,(H,29,34);3,5-6,9-11,16,19H,4,7-8,12-15,17-18,20-21H2,1-2H3,(H,29,33);3-8,13,18,27H,9-12,14-17,19-20H2,1-2H3,(H,29,33);3-8,13,18H,9-12,14-17,19-20H2,1-2H3,(H,28,32);3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 2172.98 g/mol, XLogP of 16.87, 24 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperazin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(pyridin-3-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160844680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).