1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide

C15H19ClN2O2 — CID 47100006

IUPAC1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-2-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyDDEUUCQKHXUQJN-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide (PubChem CID 47100006) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
PubChem CID47100006
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-2-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyDDEUUCQKHXUQJN-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide (CID 47100006) is 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is DDEUUCQKHXUQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-17-14(19)12-4-3-9-18(10-12)15(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,17,19).
What are the key properties of 1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.33, 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-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 47100006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).