N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide

C16H21N3O — CID 79159548

IUPACN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-14-8-12-18(13-9-14)16(20)19(11-5-10-17)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3
InChIKeyAGMPLFCXAUZECH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.26
Rot. Bonds3

About N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide

N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide (PubChem CID 79159548) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
PubChem CID79159548
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-14-8-12-18(13-9-14)16(20)19(11-5-10-17)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3
InChIKeyAGMPLFCXAUZECH-UHFFFAOYSA-N
XLogP3.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
CID 29032011
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
tert-butyl N-[1-[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]piperidin-4-yl]carbamate
CID 56513571
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide
CID 56577805
N-(2-cyanoethyl)-4-oxo-N-phenyl-4-[4-(propylsulfonylamino)piperidin-1-yl]butanamide
CID 56577959
N'-(2-cyanoethyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N'-phenylbutanediamide
CID 56505414

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide (CID 79159548) is N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide is CC1CCN(C(=O)N(CCC#N)c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is AGMPLFCXAUZECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-14-8-12-18(13-9-14)16(20)19(11-5-10-17)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide?
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 79159548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).