N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide

C21H30N2O2 — CID 802244

IUPACN-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16-8-6-7-11-19(16)21(25)23-14-12-17(13-15-23)20(24)22-18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,24)
InChIKeyFJCFJENXLPWJAM-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.69
Rot. Bonds3

About N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 802244) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID802244
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16-8-6-7-11-19(16)21(25)23-14-12-17(13-15-23)20(24)22-18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,24)
InChIKeyFJCFJENXLPWJAM-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-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-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 802244) is N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is FJCFJENXLPWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16-8-6-7-11-19(16)21(25)23-14-12-17(13-15-23)20(24)22-18-9-4-2-3-5-10-18/h6-8,11,17-18H,2-5,9-10,12-15H2,1H3,(H,22,24).
What are the key properties of N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 802244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).