3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

C147H176ClF8N11O20 — CID 158914996

IUPAC3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N2COc3c(F)cc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(Cl)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.Cc1ccc2c(c1)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N3CCC(c4cccc(C(=O)O)c4)CC3)C1)CO2
InChIInChI=1S/C30H34F4N2O4.C30H38N2O4.C29H35ClN2O4.C29H34F3N3O4.C29H35FN2O4/c1-18(2)29(28(39)36-16-22-13-23(30(32,33)34)14-25(31)26(22)40-17-36)9-6-24(15-29)35-10-7-19(8-11-35)20-4-3-5-21(12-20)27(37)38;1-20(2)30(29(35)32-18-25-15-21(3)7-8-27(25)36-19-32)12-9-26(17-30)31-13-10-22(11-14-31)23-5-4-6-24(16-23)28(33)34;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34;1-18(2)28(27(38)35-16-22-13-23(29(30,31)32)15-33-25(22)39-17-35)9-6-24(14-28)34-10-7-19(8-11-34)20-4-3-5-21(12-20)26(36)37;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34/h3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,37,38);4-8,15-16,20,22,26H,9-14,17-19H2,1-3H3,(H,33,34);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34);3-5,12-13,15,18-19,24H,6-11,14,16-17H2,1-2H3,(H,36,37);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34)/t24-,29+;26-,30+;25-,29+;24-,28+;25-,29+/m11111/s1
InChIKeyJHCUYGTUIWJRRO-QGCHIQARSA-N
MW2604.52 g/mol
LogP28.36
Rot. Bonds25

About 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid (PubChem CID 158914996) has the molecular formula C147H176ClF8N11O20 and a molecular weight of 2604.52 g/mol. Its IUPAC name is 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
PubChem CID158914996
Molecular FormulaC147H176ClF8N11O20
Molecular Weight2604.52 g/mol
Exact Mass2602.27
IUPAC Name3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
SMILESCC(C)[C@]1(C(=O)N2COc3c(F)cc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(Cl)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.Cc1ccc2c(c1)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N3CCC(c4cccc(C(=O)O)c4)CC3)C1)CO2
InChIInChI=1S/C30H34F4N2O4.C30H38N2O4.C29H35ClN2O4.C29H34F3N3O4.C29H35FN2O4/c1-18(2)29(28(39)36-16-22-13-23(30(32,33)34)14-25(31)26(22)40-17-36)9-6-24(15-29)35-10-7-19(8-11-35)20-4-3-5-21(12-20)27(37)38;1-20(2)30(29(35)32-18-25-15-21(3)7-8-27(25)36-19-32)12-9-26(17-30)31-13-10-22(11-14-31)23-5-4-6-24(16-23)28(33)34;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34;1-18(2)28(27(38)35-16-22-13-23(29(30,31)32)15-33-25(22)39-17-35)9-6-24(14-28)34-10-7-19(8-11-34)20-4-3-5-21(12-20)26(36)37;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34/h3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,37,38);4-8,15-16,20,22,26H,9-14,17-19H2,1-3H3,(H,33,34);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34);3-5,12-13,15,18-19,24H,6-11,14,16-17H2,1-2H3,(H,36,37);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34)/t24-,29+;26-,30+;25-,29+;24-,28+;25-,29+/m11111/s1
InChIKeyJHCUYGTUIWJRRO-QGCHIQARSA-N
XLogP28.36
TPSA363.29 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002604.52
LogP ≤ 528.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The IUPAC name of 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid (CID 158914996) is 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid.
What is the SMILES notation for 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The canonical SMILES for 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid is CC(C)[C@]1(C(=O)N2COc3c(F)cc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(Cl)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ccc(F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2COc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.Cc1ccc2c(c1)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N3CCC(c4cccc(C(=O)O)c4)CC3)C1)CO2.
What is the InChIKey of 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The InChIKey is JHCUYGTUIWJRRO-QGCHIQARSA-N. The full InChI is InChI=1S/C30H34F4N2O4.C30H38N2O4.C29H35ClN2O4.C29H34F3N3O4.C29H35FN2O4/c1-18(2)29(28(39)36-16-22-13-23(30(32,33)34)14-25(31)26(22)40-17-36)9-6-24(15-29)35-10-7-19(8-11-35)20-4-3-5-21(12-20)27(37)38;1-20(2)30(29(35)32-18-25-15-21(3)7-8-27(25)36-19-32)12-9-26(17-30)31-13-10-22(11-14-31)23-5-4-6-24(16-23)28(33)34;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34;1-18(2)28(27(38)35-16-22-13-23(29(30,31)32)15-33-25(22)39-17-35)9-6-24(14-28)34-10-7-19(8-11-34)20-4-3-5-21(12-20)26(36)37;1-19(2)29(28(35)32-17-23-15-24(30)6-7-26(23)36-18-32)11-8-25(16-29)31-12-9-20(10-13-31)21-4-3-5-22(14-21)27(33)34/h3-5,12-14,18-19,24H,6-11,15-17H2,1-2H3,(H,37,38);4-8,15-16,20,22,26H,9-14,17-19H2,1-3H3,(H,33,34);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34);3-5,12-13,15,18-19,24H,6-11,14,16-17H2,1-2H3,(H,36,37);3-7,14-15,19-20,25H,8-13,16-18H2,1-2H3,(H,33,34)/t24-,29+;26-,30+;25-,29+;24-,28+;25-,29+/m11111/s1.
What are the key properties of 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid has a molecular weight of 2604.52 g/mol, XLogP of 28.36, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1R,3S)-3-(6-chloro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-fluoro-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-[8-fluoro-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine-3-carbonyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-(6-methyl-2,4-dihydro-1,3-benzoxazine-3-carbonyl)-3-propan-2-ylcyclopentyl]piperidin-4-yl]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[6-(trifluoromethyl)-2,4-dihydropyrido[3,2-e][1,3]oxazine-3-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid is sourced from PubChem (CID 158914996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).