1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide

C13H22N2O — CID 678228

IUPAC1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C13H22N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H2,14,16)/t11-/m1/s1
InChIKeyNKSAYWLDLIPAMJ-LLVKDONJSA-N
MW222.33 g/mol
LogP1.54
Rot. Bonds3

About 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide

1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 678228) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
PubChem CID678228
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C13H22N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H2,14,16)/t11-/m1/s1
InChIKeyNKSAYWLDLIPAMJ-LLVKDONJSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-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 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide (CID 678228) is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NKSAYWLDLIPAMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10H2,(H2,14,16)/t11-/m1/s1.
What are the key properties of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide?
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 678228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).