(2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one

C48H62N8O7 — CID 158748176

About (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one

(2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 158748176) has the molecular formula C48H62N8O7 and a molecular weight of 863.07 g/mol. Its IUPAC name is (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

• Compound Name: (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one
• PubChem CID: 158748176
• Molecular Formula: C48H62N8O7
• Molecular Weight: 863.07 g/mol
• Exact Mass: 862.47
• IUPAC Name: (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc(NC2CCC(C)(O)CC2)c(NC(=O)[C@@H]2CCCC(=O)N2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(C)(O)CC1
• InChI: InChI=1S/C24H32N4O4.C24H30N4O3/c1-14-22(15(2)32-28-14)16-7-8-18(25-17-9-11-24(3,31)12-10-17)20(13-16)27-23(30)19-5-4-6-21(29)26-19;1-14-22(15(2)31-27-14)16-7-8-20-19(13-16)26-23(18-5-4-6-21(29)25-18)28(20)17-9-11-24(3,30)12-10-17/h7-8,13,17,19,25,31H,4-6,9-12H2,1-3H3,(H,26,29)(H,27,30);7-8,13,17-18,30H,4-6,9-12H2,1-3H3,(H,25,29)/t17?,19-,24?;17?,18-,24?/m00/s1
• InChIKey: INDHHCDJZNASAY-PHIVQAAOSA-N
• XLogP: 8.19
• TPSA: 209.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	863.07
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one?

The IUPAC name of (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one (CID 158748176) is (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one.

What is the SMILES notation for (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one?

The canonical SMILES for (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccc(NC2CCC(C)(O)CC2)c(NC(=O)[C@@H]2CCCC(=O)N2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(C)(O)CC1.

What is the InChIKey of (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one?

The InChIKey is INDHHCDJZNASAY-PHIVQAAOSA-N. The full InChI is InChI=1S/C24H32N4O4.C24H30N4O3/c1-14-22(15(2)32-28-14)16-7-8-18(25-17-9-11-24(3,31)12-10-17)20(13-16)27-23(30)19-5-4-6-21(29)26-19;1-14-22(15(2)31-27-14)16-7-8-20-19(13-16)26-23(18-5-4-6-21(29)25-18)28(20)17-9-11-24(3,30)12-10-17/h7-8,13,17,19,25,31H,4-6,9-12H2,1-3H3,(H,26,29)(H,27,30);7-8,13,17-18,30H,4-6,9-12H2,1-3H3,(H,25,29)/t17?,19-,24?;17?,18-,24?/m00/s1.

What are the key properties of (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one?

(2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 863.07 g/mol, XLogP of 8.19, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-hydroxy-4-methylcyclohexyl)amino]phenyl]-6-oxopiperidine-2-carboxamide;(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxy-4-methylcyclohexyl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 158748176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).