(3S)-N-pent-3-ynylpiperidine-3-carboxamide

C11H18N2O — CID 104891658

IUPAC(3S)-N-pent-3-ynylpiperidine-3-carboxamide
SMILESCC#CCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h10,12H,4-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyWVSKGHXMPVNKDX-JTQLQIEISA-N
MW194.28 g/mol
LogP0.52
Rot. Bonds3

About (3S)-N-pent-3-ynylpiperidine-3-carboxamide

(3S)-N-pent-3-ynylpiperidine-3-carboxamide (PubChem CID 104891658) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3S)-N-pent-3-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-pent-3-ynylpiperidine-3-carboxamide
PubChem CID104891658
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3S)-N-pent-3-ynylpiperidine-3-carboxamide
SMILESCC#CCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C11H18N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h10,12H,4-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyWVSKGHXMPVNKDX-JTQLQIEISA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.52
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'}

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Related Compounds

N-pent-3-ynylpiperidine-3-carboxamide
CID 116644116
N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644143
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140

Frequently Asked Questions

What is the IUPAC name of (3S)-N-pent-3-ynylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-pent-3-ynylpiperidine-3-carboxamide (CID 104891658) is (3S)-N-pent-3-ynylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-pent-3-ynylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-pent-3-ynylpiperidine-3-carboxamide is CC#CCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-pent-3-ynylpiperidine-3-carboxamide?
The InChIKey is WVSKGHXMPVNKDX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-4-8-13-11(14)10-6-5-7-12-9-10/h10,12H,4-9H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-N-pent-3-ynylpiperidine-3-carboxamide?
(3S)-N-pent-3-ynylpiperidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-pent-3-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 104891658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).