(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide

C14H24N2O — CID 81128987

IUPAC(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(C(=O)[C@H]1CCCNC1)C1CCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16(13-7-3-4-8-13)14(17)12-6-5-9-15-11-12/h2,12-13,15H,1,3-11H2/t12-/m0/s1
InChIKeyRPROAZOODISLCU-LBPRGKRZSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds4

About (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide

(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 81128987) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID81128987
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN(C(=O)[C@H]1CCCNC1)C1CCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16(13-7-3-4-8-13)14(17)12-6-5-9-15-11-12/h2,12-13,15H,1,3-11H2/t12-/m0/s1
InChIKeyRPROAZOODISLCU-LBPRGKRZSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
(3S)-N-cyclopentyl-N-methylpiperidine-3-carboxamide
CID 81123260
3-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141369
3-[cyclopropyl-[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81141368
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
N-cyclopentyl-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119291422
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
(3R)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 103338846
N,N-diethylpiperidine-3-carboxamide
CID 18793

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide (CID 81128987) is (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide is C=CCN(C(=O)[C@H]1CCCNC1)C1CCCC1.
What is the InChIKey of (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is RPROAZOODISLCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-10-16(13-7-3-4-8-13)14(17)12-6-5-9-15-11-12/h2,12-13,15H,1,3-11H2/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide?
(3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 81128987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).