N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide

C14H18ClN3O2 — CID 119280735

IUPACN-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-9(19)17-11-2-3-12(15)13(8-11)18-14(20)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyXVEFRTDAZKIJTE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.24
Rot. Bonds3

About N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide

N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide (PubChem CID 119280735) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
PubChem CID119280735
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-9(19)17-11-2-3-12(15)13(8-11)18-14(20)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyXVEFRTDAZKIJTE-UHFFFAOYSA-N
XLogP2.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide (CID 119280735) is N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is XVEFRTDAZKIJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9(19)17-11-2-3-12(15)13(8-11)18-14(20)10-4-6-16-7-5-10/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide?
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119280735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).