4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide

C23H21N3O — CID 4576172

IUPAC4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C23H21N3O/c24-17-23(19-9-2-1-3-10-19)13-15-26(16-14-23)22(27)25-21-12-6-8-18-7-4-5-11-20(18)21/h1-12H,13-16H2,(H,25,27)
InChIKeyAFOGYNUPWSBDHY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.93
Rot. Bonds2

About 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide

4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide (PubChem CID 4576172) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
PubChem CID4576172
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C23H21N3O/c24-17-23(19-9-2-1-3-10-19)13-15-26(16-14-23)22(27)25-21-12-6-8-18-7-4-5-11-20(18)21/h1-12H,13-16H2,(H,25,27)
InChIKeyAFOGYNUPWSBDHY-UHFFFAOYSA-N
XLogP4.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(3-iodophenyl)-4-phenylpiperidine-1-carboxamide
CID 3717988
N-(4-bromo-2-methylphenyl)-4-cyano-4-phenylpiperidine-1-carboxamide
CID 3822406
butyl 2-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]benzoate
CID 4987941
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
1-(3-methylsulfonylpropanoyl)-4-phenylpiperidine-4-carbonitrile
CID 131905041

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide (CID 4576172) is 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide?
The InChIKey is AFOGYNUPWSBDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-17-23(19-9-2-1-3-10-19)13-15-26(16-14-23)22(27)25-21-12-6-8-18-7-4-5-11-20(18)21/h1-12H,13-16H2,(H,25,27).
What are the key properties of 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide?
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 4576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).