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

C14H17ClN2O2 — CID 701225

IUPACN-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O2/c1-10-6-8-17(9-7-10)14(19)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18,19)
InChIKeyHONHCMAMWLDRGG-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.92
Rot. Bonds1

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

N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide (PubChem CID 701225) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide
PubChem CID701225
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O2/c1-10-6-8-17(9-7-10)14(19)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18,19)
InChIKeyHONHCMAMWLDRGG-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Moclobemide
CID 4235
N-benzyl-4-chlorobenzamide
CID 346668
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
1-(3-Chlorobenzoyl)piperazine
CID 1074765
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
Benzamide derivative 11
CID 41306362
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
CID 822765
N-butyl-4-chloro-N-ethylbenzamide
CID 2164652
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
N-benzoyl-1-piperidinecarboxamide
CID 974065

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide (CID 701225) is N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is HONHCMAMWLDRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-6-8-17(9-7-10)14(19)16-13(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,18,19).
What are the key properties of N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide?
N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 701225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).