N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide

C16H21N3O — CID 47254048

IUPACN-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1C)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)16(20)18-13(2)15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20)
InChIKeyNAYZKASIVIUAMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds2

About N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide

N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide (PubChem CID 47254048) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
PubChem CID47254048
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1C)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)16(20)18-13(2)15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20)
InChIKeyNAYZKASIVIUAMW-UHFFFAOYSA-N
XLogP3.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
N-benzhydryl-2-methylpiperidine-1-carboxamide
CID 108867475
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
CID 64824319
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
(2R)-1-[(3S)-1-(3-cyanoazetidin-1-yl)sulfonylpiperidine-3-carbonyl]-N-[(1R)-1-(4-cyanophenyl)ethyl]pyrrolidine-2-carboxamide
CID 138471389
3-cyano-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95149605
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 55793464
2-(2-methylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511212

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide (CID 47254048) is N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide is CC(NC(=O)N1CCCCC1C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is NAYZKASIVIUAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)16(20)18-13(2)15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 47254048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).