(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

C18H32N2O3 — CID 25379563

IUPAC(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyWKYFZFMVFDEMLD-CQSZACIVSA-N
MW324.47 g/mol
LogP2.08
Rot. Bonds5

About (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 25379563) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID25379563
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)(CO)CNC(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyWKYFZFMVFDEMLD-CQSZACIVSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (CID 25379563) is (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)(CO)CNC(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WKYFZFMVFDEMLD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,13-21)12-19-17(23)14-9-10-16(22)20(11-14)15-7-5-3-4-6-8-15/h14-15,21H,3-13H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
(3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25379563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).