(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

C17H28N2O3 — CID 26330299

IUPAC(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCCC2=CCCCC2)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyMIBKLYWGTXAQML-HNNXBMFYSA-N
MW308.42 g/mol
LogP1.88
Rot. Bonds7

About (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26330299) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID26330299
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCCC2=CCCCC2)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyMIBKLYWGTXAQML-HNNXBMFYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-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 (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 26330299) is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1C[C@@H](C(=O)NCCC2=CCCCC2)CCC1=O.
What is the InChIKey of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MIBKLYWGTXAQML-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26330299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).