N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide

C20H28ClN3O2 — CID 119286306

IUPACN-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl)C1CCCCC1
InChIInChI=1S/C20H28ClN3O2/c1-24(15-7-3-2-4-8-15)20(26)16-11-10-14(13-17(16)21)23-19(25)18-9-5-6-12-22-18/h10-11,13,15,18,22H,2-9,12H2,1H3,(H,23,25)
InChIKeyBGTIMTRCLODCBR-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.83
Rot. Bonds4

About N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide

N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide (PubChem CID 119286306) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
PubChem CID119286306
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl)C1CCCCC1
InChIInChI=1S/C20H28ClN3O2/c1-24(15-7-3-2-4-8-15)20(26)16-11-10-14(13-17(16)21)23-19(25)18-9-5-6-12-22-18/h10-11,13,15,18,22H,2-9,12H2,1H3,(H,23,25)
InChIKeyBGTIMTRCLODCBR-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621694
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119717898
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide (CID 119286306) is N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide is CN(C(=O)c1ccc(NC(=O)C2CCCCN2)cc1Cl)C1CCCCC1.
What is the InChIKey of N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide?
The InChIKey is BGTIMTRCLODCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-24(15-7-3-2-4-8-15)20(26)16-11-10-14(13-17(16)21)23-19(25)18-9-5-6-12-22-18/h10-11,13,15,18,22H,2-9,12H2,1H3,(H,23,25).
What are the key properties of N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide?
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119286306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).