2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C28H29N3O2 — CID 60533705

IUPAC2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1-c1ccccc1C#N)N1CCCCC1
InChIInChI=1S/C28H29N3O2/c1-33-27-16-8-7-15-25(27)26(31-17-9-2-10-18-31)20-30-28(32)24-14-6-5-13-23(24)22-12-4-3-11-21(22)19-29/h3-8,11-16,26H,2,9-10,17-18,20H2,1H3,(H,30,32)
InChIKeyFDWSAMDSKKUCKK-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.19
Rot. Bonds7

About 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 60533705) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID60533705
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1ccccc1-c1ccccc1C#N)N1CCCCC1
InChIInChI=1S/C28H29N3O2/c1-33-27-16-8-7-15-25(27)26(31-17-9-2-10-18-31)20-30-28(32)24-14-6-5-13-23(24)22-12-4-3-11-21(22)19-29/h3-8,11-16,26H,2,9-10,17-18,20H2,1H3,(H,30,32)
InChIKeyFDWSAMDSKKUCKK-UHFFFAOYSA-N
XLogP5.19
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide 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

2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17438662
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 60533705) is 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccccc1C(CNC(=O)c1ccccc1-c1ccccc1C#N)N1CCCCC1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is FDWSAMDSKKUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-33-27-16-8-7-15-25(27)26(31-17-9-2-10-18-31)20-30-28(32)24-14-6-5-13-23(24)22-12-4-3-11-21(22)19-29/h3-8,11-16,26H,2,9-10,17-18,20H2,1H3,(H,30,32).
What are the key properties of 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 60533705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).