(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

C18H32N2O3 — CID 25372637

IUPAC(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)15-8-9-16(22)20(11-15)10-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyYKDOLGDEDCQBRB-HNNXBMFYSA-N
MW324.47 g/mol
LogP1.94
Rot. Bonds6

About (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25372637) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID25372637
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)15-8-9-16(22)20(11-15)10-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyYKDOLGDEDCQBRB-HNNXBMFYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (CID 25372637) is (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)(CO)CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YKDOLGDEDCQBRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)15-8-9-16(22)20(11-15)10-14-6-4-3-5-7-14/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25372637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).