benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate

C27H25N3O3 — CID 24988181

IUPACbenzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(NC(=O)OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H25N3O3/c28-18-20-9-11-22(12-10-20)23-13-15-30(16-14-23)26(31)24-7-4-8-25(17-24)29-27(32)33-19-21-5-2-1-3-6-21/h1-12,17,23H,13-16,19H2,(H,29,32)
InChIKeyGAFXXDBWXZFICW-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.33
Rot. Bonds5

About benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate

benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate (PubChem CID 24988181) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
PubChem CID24988181
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Namebenzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(NC(=O)OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C27H25N3O3/c28-18-20-9-11-22(12-10-20)23-13-15-30(16-14-23)26(31)24-7-4-8-25(17-24)29-27(32)33-19-21-5-2-1-3-6-21/h1-12,17,23H,13-16,19H2,(H,29,32)
InChIKeyGAFXXDBWXZFICW-UHFFFAOYSA-N
XLogP5.33
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 25153362
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate;benzyl N-[[3-[1-[3-[(2-cyclobutylideneacetyl)amino]benzoyl]piperidin-4-yl]phenyl]methyl]carbamate;2-cyclobutylideneacetic acid
CID 159661066
2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 55884104
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 111425141
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
benzyl 3-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]sulfamoyl]pyrrolidine-1-carboxylate;N-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-2-methylphenyl]methanesulfonamide
CID 87727969
benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
CID 55892585
N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 24672674
benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
CID 146167876
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
CID 171685110

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate (CID 24988181) is benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate is N#Cc1ccc(C2CCN(C(=O)c3cccc(NC(=O)OCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate?
The InChIKey is GAFXXDBWXZFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c28-18-20-9-11-22(12-10-20)23-13-15-30(16-14-23)26(31)24-7-4-8-25(17-24)29-27(32)33-19-21-5-2-1-3-6-21/h1-12,17,23H,13-16,19H2,(H,29,32).
What are the key properties of benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate?
benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate has a molecular weight of 439.52 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 24988181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).