N-prop-2-enylpiperidine-3-carboxamide;hydrochloride

C9H17ClN2O — CID 53410806

IUPACN-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-2-5-11-9(12)8-4-3-6-10-7-8;/h2,8,10H,1,3-7H2,(H,11,12);1H
InChIKeyQAVNZWKOEJLIFL-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.71
Rot. Bonds3

About N-prop-2-enylpiperidine-3-carboxamide;hydrochloride

N-prop-2-enylpiperidine-3-carboxamide;hydrochloride (PubChem CID 53410806) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is N-prop-2-enylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylpiperidine-3-carboxamide;hydrochloride
PubChem CID53410806
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC NameN-prop-2-enylpiperidine-3-carboxamide;hydrochloride
SMILESC=CCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-2-5-11-9(12)8-4-3-6-10-7-8;/h2,8,10H,1,3-7H2,(H,11,12);1H
InChIKeyQAVNZWKOEJLIFL-UHFFFAOYSA-N
XLogP0.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
2-piperidin-3-yl-N-prop-2-enylacetamide
CID 62676827
(3R)-N-(3-ethenoxypropyl)piperidine-3-carboxamide
CID 81140451
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-(2,3-dimethylbutyl)piperidine-3-carboxamide;hydrochloride
CID 119330823
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-prop-2-enylpiperidine-3-carboxamide;hydrochloride (CID 53410806) is N-prop-2-enylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-prop-2-enylpiperidine-3-carboxamide;hydrochloride is C=CCNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QAVNZWKOEJLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-2-5-11-9(12)8-4-3-6-10-7-8;/h2,8,10H,1,3-7H2,(H,11,12);1H.
What are the key properties of N-prop-2-enylpiperidine-3-carboxamide;hydrochloride?
N-prop-2-enylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 53410806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).