N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide

C17H22ClN3O — CID 48957326

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O/c1-17(2,14-3-5-15(18)6-4-14)12-20-16(22)21-9-7-13(11-19)8-10-21/h3-6,13H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyZURHMSHGLPJICH-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.56
Rot. Bonds3

About N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide (PubChem CID 48957326) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
PubChem CID48957326
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O/c1-17(2,14-3-5-15(18)6-4-14)12-20-16(22)21-9-7-13(11-19)8-10-21/h3-6,13H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyZURHMSHGLPJICH-UHFFFAOYSA-N
XLogP3.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
CID 86880870
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
N-[2-(4-chlorophenyl)-2-methylpropyl]-8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 139000224
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958776
4-cyano-N-[[4-(diethylamino)phenyl]methyl]piperidine-1-carboxamide
CID 48957963

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide (CID 48957326) is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide is CC(C)(CNC(=O)N1CCC(C#N)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide?
The InChIKey is ZURHMSHGLPJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-17(2,14-3-5-15(18)6-4-14)12-20-16(22)21-9-7-13(11-19)8-10-21/h3-6,13H,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide has a molecular weight of 319.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 48957326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).