1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide

C16H19ClN2O2 — CID 113002623

IUPAC1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN2O2/c1-2-8-18-15(20)12-6-9-19(10-7-12)16(21)13-4-3-5-14(17)11-13/h2-5,11-12H,1,6-10H2,(H,18,20)
InChIKeyGOYYAMLRWBXNMW-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide

1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 113002623) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID113002623
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN2O2/c1-2-8-18-15(20)12-6-9-19(10-7-12)16(21)13-4-3-5-14(17)11-13/h2-5,11-12H,1,6-10H2,(H,18,20)
InChIKeyGOYYAMLRWBXNMW-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.49
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

1-(3-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 113003453
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
1-[3-[(4-methylbenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 46387263
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-(2,5-dichlorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 3157088
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide (CID 113002623) is 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is GOYYAMLRWBXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-8-18-15(20)12-6-9-19(10-7-12)16(21)13-4-3-5-14(17)11-13/h2-5,11-12H,1,6-10H2,(H,18,20).
What are the key properties of 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 113002623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).