4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide

C20H21N3O — CID 3864975

IUPAC4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c1-16-7-5-6-10-18(16)22-19(24)23-13-11-20(15-21,12-14-23)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,22,24)
InChIKeyBFDUTHYPXADART-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.08
Rot. Bonds2

About 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide

4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 3864975) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
PubChem CID3864975
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c1-16-7-5-6-10-18(16)22-19(24)23-13-11-20(15-21,12-14-23)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,22,24)
InChIKeyBFDUTHYPXADART-UHFFFAOYSA-N
XLogP4.08
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
butyl 2-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]benzoate
CID 4987941
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carbonitrile
CID 110711530
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide (CID 3864975) is 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is BFDUTHYPXADART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16-7-5-6-10-18(16)22-19(24)23-13-11-20(15-21,12-14-23)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,22,24).
What are the key properties of 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide?
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3864975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).