(3S)-N-hex-5-ynylpiperidine-3-carboxamide

C12H20N2O — CID 106213073

IUPAC(3S)-N-hex-5-ynylpiperidine-3-carboxamide
SMILESC#CCCCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h1,11,13H,3-10H2,(H,14,15)/t11-/m0/s1
InChIKeyQYCJJYRFCGPEFD-NSHDSACASA-N
MW208.30 g/mol
LogP0.91
Rot. Bonds5

About (3S)-N-hex-5-ynylpiperidine-3-carboxamide

(3S)-N-hex-5-ynylpiperidine-3-carboxamide (PubChem CID 106213073) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3S)-N-hex-5-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-hex-5-ynylpiperidine-3-carboxamide
PubChem CID106213073
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3S)-N-hex-5-ynylpiperidine-3-carboxamide
SMILESC#CCCCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h1,11,13H,3-10H2,(H,14,15)/t11-/m0/s1
InChIKeyQYCJJYRFCGPEFD-NSHDSACASA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-hex-5-ynylpiperidine-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

Related Compounds

N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116
(3S)-N-pent-3-ynylpiperidine-3-carboxamide
CID 104891658
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858

Frequently Asked Questions

What is the IUPAC name of (3S)-N-hex-5-ynylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-hex-5-ynylpiperidine-3-carboxamide (CID 106213073) is (3S)-N-hex-5-ynylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-hex-5-ynylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-hex-5-ynylpiperidine-3-carboxamide is C#CCCCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-hex-5-ynylpiperidine-3-carboxamide?
The InChIKey is QYCJJYRFCGPEFD-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h1,11,13H,3-10H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-N-hex-5-ynylpiperidine-3-carboxamide?
(3S)-N-hex-5-ynylpiperidine-3-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-hex-5-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 106213073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).