4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide

C20H21N3O2 — CID 72900546

IUPAC4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)18-4-2-3-5-19(18)22-20(24)23-12-10-15(14-21)11-13-23/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyBFHXRLNXNQPNNH-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.13
Rot. Bonds3

About 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide

4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide (PubChem CID 72900546) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
PubChem CID72900546
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)18-4-2-3-5-19(18)22-20(24)23-12-10-15(14-21)11-13-23/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyBFHXRLNXNQPNNH-UHFFFAOYSA-N
XLogP4.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 99700467
4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 166316432
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-[2-(4-methoxyphenyl)phenyl]acetamide
CID 67042246
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
(8aS)-2-[2-(4-methoxyphenyl)cyclopropyl]-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686377
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
CID 24733705
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide (CID 72900546) is 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide is COc1ccc(-c2ccccc2NC(=O)N2CCC(C#N)CC2)cc1.
What is the InChIKey of 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide?
The InChIKey is BFHXRLNXNQPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)18-4-2-3-5-19(18)22-20(24)23-12-10-15(14-21)11-13-23/h2-9,15H,10-13H2,1H3,(H,22,24).
What are the key properties of 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide?
4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-methoxyphenyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 72900546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).