1-benzyl-N-prop-2-enylpiperidine-4-carboxamide

C16H22N2O — CID 25246491

IUPAC1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-2-10-17-16(19)15-8-11-18(12-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,17,19)
InChIKeyHAZUXESFOURBAA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.20
Rot. Bonds5

About 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide

1-benzyl-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 25246491) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID25246491
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-2-10-17-16(19)15-8-11-18(12-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,17,19)
InChIKeyHAZUXESFOURBAA-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.20
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)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide (CID 25246491) is 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is HAZUXESFOURBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-10-17-16(19)15-8-11-18(12-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,17,19).
What are the key properties of 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide?
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 25246491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).