4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide

C16H21N3O — CID 123692177

IUPAC4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C#N)(CCc2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-18-15(20)19-11-9-16(13-17,10-12-19)8-7-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,18,20)
InChIKeyUYIGMAANJYRIJS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds3

About 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide

4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 123692177) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID123692177
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C#N)(CCc2ccccc2)CC1
InChIInChI=1S/C16H21N3O/c1-18-15(20)19-11-9-16(13-17,10-12-19)8-7-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,18,20)
InChIKeyUYIGMAANJYRIJS-UHFFFAOYSA-N
XLogP2.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
CID 122417522
4-(benzoyloxymethyl)-4-cyanopiperidine-1-carboxylic acid
CID 129116027
4-acetyl-N-methylpiperazine-1-carboxamide;benzyl acetate;methane
CID 159691035
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
CID 83269180
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618
N-[(2R)-butan-2-yl]-4-cyano-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 125499832
(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide
CID 70067109

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide (CID 123692177) is 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide is CNC(=O)N1CCC(C#N)(CCc2ccccc2)CC1.
What is the InChIKey of 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is UYIGMAANJYRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-15(20)19-11-9-16(13-17,10-12-19)8-7-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,18,20).
What are the key properties of 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide?
4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-4-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 123692177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).