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

C21H23N3O — CID 3861868

IUPAC4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-2-17-8-6-7-11-19(17)23-20(25)24-14-12-21(16-22,13-15-24)18-9-4-3-5-10-18/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyHOFDJEGIKPMPPF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.34
Rot. Bonds3

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

4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide (PubChem CID 3861868) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
PubChem CID3861868
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O/c1-2-17-8-6-7-11-19(17)23-20(25)24-14-12-21(16-22,13-15-24)18-9-4-3-5-10-18/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyHOFDJEGIKPMPPF-UHFFFAOYSA-N
XLogP4.34
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
butyl 2-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]benzoate
CID 4987941
N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406
1-(2-ethylbutanoyl)-4-phenylpiperidine-4-carbonitrile
CID 110711531
4-cyano-N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-phenylpiperidine-1-carboxamide
CID 126451846
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
1-[(2R)-2-ethoxypropanoyl]-4-phenylpiperidine-4-carbonitrile
CID 126445072
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide (CID 3861868) is 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide is CCc1ccccc1NC(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide?
The InChIKey is HOFDJEGIKPMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-17-8-6-7-11-19(17)23-20(25)24-14-12-21(16-22,13-15-24)18-9-4-3-5-10-18/h3-11H,2,12-15H2,1H3,(H,23,25).
What are the key properties of 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide?
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3861868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).