N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide

C28H37N3O2 — CID 155519716

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cccc(N(C(=O)C2CCCCN2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C
InChIInChI=1S/C28H37N3O2/c1-20-12-11-18-25(21(20)2)31(28(33)24-17-9-10-19-29-24)26(22-13-5-3-6-14-22)27(32)30-23-15-7-4-8-16-23/h3,5-6,11-14,18,23-24,26,29H,4,7-10,15-17,19H2,1-2H3,(H,30,32)
InChIKeyITFOJVCRNNGWGQ-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 155519716) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide
PubChem CID155519716
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide
SMILESCc1cccc(N(C(=O)C2CCCCN2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C
InChIInChI=1S/C28H37N3O2/c1-20-12-11-18-25(21(20)2)31(28(33)24-17-9-10-19-29-24)26(22-13-5-3-6-14-22)27(32)30-23-15-7-4-8-16-23/h3,5-6,11-14,18,23-24,26,29H,4,7-10,15-17,19H2,1-2H3,(H,30,32)
InChIKeyITFOJVCRNNGWGQ-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide (CID 155519716) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide is Cc1cccc(N(C(=O)C2CCCCN2)C(C(=O)NC2CCCCC2)c2ccccc2)c1C.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is ITFOJVCRNNGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-20-12-11-18-25(21(20)2)31(28(33)24-17-9-10-19-29-24)26(22-13-5-3-6-14-22)27(32)30-23-15-7-4-8-16-23/h3,5-6,11-14,18,23-24,26,29H,4,7-10,15-17,19H2,1-2H3,(H,30,32).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2,3-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 155519716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).