N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide

C27H25N3O2 — CID 70644256

IUPACN-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C27H25N3O2/c28-19-23-8-4-5-9-25(23)27(32)30-16-14-22(15-17-30)26(31)29-24-12-10-21(11-13-24)18-20-6-2-1-3-7-20/h1-13,22H,14-18H2,(H,29,31)
InChIKeyPLDFCGYYXDQEOS-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.64
Rot. Bonds5

About N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide

N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide (PubChem CID 70644256) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
PubChem CID70644256
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C27H25N3O2/c28-19-23-8-4-5-9-25(23)27(32)30-16-14-22(15-17-30)26(31)29-24-12-10-21(11-13-24)18-20-6-2-1-3-7-20/h1-13,22H,14-18H2,(H,29,31)
InChIKeyPLDFCGYYXDQEOS-UHFFFAOYSA-N
XLogP4.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308368
1-(2-cyanobenzoyl)-N-(2-propan-2-ylindazol-6-yl)piperidine-4-carboxamide
CID 46909213
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372
2-[4-[2-(4-phenoxyphenyl)acetyl]piperidine-1-carbonyl]benzonitrile
CID 58578310
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide (CID 70644256) is N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide is N#Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide?
The InChIKey is PLDFCGYYXDQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c28-19-23-8-4-5-9-25(23)27(32)30-16-14-22(15-17-30)26(31)29-24-12-10-21(11-13-24)18-20-6-2-1-3-7-20/h1-13,22H,14-18H2,(H,29,31).
What are the key properties of N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide?
N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 70644256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).