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

C19H26ClN3O2 — CID 119300196

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C19H26ClN3O2/c20-17-9-8-15(23-18(24)13-5-4-10-21-12-13)11-16(17)19(25)22-14-6-2-1-3-7-14/h8-9,11,13-14,21H,1-7,10,12H2,(H,22,25)(H,23,24)
InChIKeyZZAMWUPVZYJPQN-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.34
Rot. Bonds4

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

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 119300196) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID119300196
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C19H26ClN3O2/c20-17-9-8-15(23-18(24)13-5-4-10-21-12-13)11-16(17)19(25)22-14-6-2-1-3-7-14/h8-9,11,13-14,21H,1-7,10,12H2,(H,22,25)(H,23,24)
InChIKeyZZAMWUPVZYJPQN-UHFFFAOYSA-N
XLogP3.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119713611
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55905233
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119286599
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120926979
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 119300196) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)c1cc(NC(=O)C2CCCNC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ZZAMWUPVZYJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-17-9-8-15(23-18(24)13-5-4-10-21-12-13)11-16(17)19(25)22-14-6-2-1-3-7-14/h8-9,11,13-14,21H,1-7,10,12H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119300196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).