1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide

C16H19ClN2O2 — CID 1072789

IUPAC1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-13-3-1-12(2-4-13)16(21)19-9-7-11(8-10-19)15(20)18-14-5-6-14/h1-4,11,14H,5-10H2,(H,18,20)
InChIKeyCXAJYRLNUUTYCS-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 1072789) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID1072789
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN2O2/c17-13-3-1-12(2-4-13)16(21)19-9-7-11(8-10-19)15(20)18-14-5-6-14/h1-4,11,14H,5-10H2,(H,18,20)
InChIKeyCXAJYRLNUUTYCS-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635164
N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
CID 51096612
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide (CID 1072789) is 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is CXAJYRLNUUTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-3-1-12(2-4-13)16(21)19-9-7-11(8-10-19)15(20)18-14-5-6-14/h1-4,11,14H,5-10H2,(H,18,20).
What are the key properties of 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 1072789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).