N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

C14H18ClN3O2 — CID 60926898

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)c1cc(NC(=O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-16-14(20)11-8-10(2-3-12(11)15)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,17H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyACBXWBXUTXJQRS-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.64
Rot. Bonds3

About N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 60926898) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID60926898
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCNC(=O)c1cc(NC(=O)C2CCNCC2)ccc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-16-14(20)11-8-10(2-3-12(11)15)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,17H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyACBXWBXUTXJQRS-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119297598
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-[2-chloro-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43701431
N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
CID 90128547
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 60926898) is N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is CNC(=O)c1cc(NC(=O)C2CCNCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ACBXWBXUTXJQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-16-14(20)11-8-10(2-3-12(11)15)18-13(19)9-4-6-17-7-5-9/h2-3,8-9,17H,4-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide?
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 60926898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).