N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide

C13H14ClN3O — CID 60969957

IUPACN-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H14ClN3O/c14-11-1-3-12(4-2-11)16-13(18)17-7-5-10(9-15)6-8-17/h1-4,10H,5-8H2,(H,16,18)
InChIKeyIIGMSDNCMXUPDQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.11
Rot. Bonds1

About N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide

N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide (PubChem CID 60969957) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
PubChem CID60969957
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H14ClN3O/c14-11-1-3-12(4-2-11)16-13(18)17-7-5-10(9-15)6-8-17/h1-4,10H,5-8H2,(H,16,18)
InChIKeyIIGMSDNCMXUPDQ-UHFFFAOYSA-N
XLogP3.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 118774921
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
CID 84599160
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
CID 48957326
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160458

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide (CID 60969957) is N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide is N#CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The InChIKey is IIGMSDNCMXUPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-1-3-12(4-2-11)16-13(18)17-7-5-10(9-15)6-8-17/h1-4,10H,5-8H2,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 60969957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).