N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide

C24H27ClN2O4 — CID 55670626

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H27ClN2O4/c1-26(24(12-5-4-8-21(24)28)19-6-2-3-7-20(19)25)22(29)17-9-13-27(14-10-17)23(30)18-11-15-31-16-18/h2-3,6-7,11,15-17H,4-5,8-10,12-14H2,1H3
InChIKeySJCGFMHZFAQTRW-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55670626) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID55670626
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H27ClN2O4/c1-26(24(12-5-4-8-21(24)28)19-6-2-3-7-20(19)25)22(29)17-9-13-27(14-10-17)23(30)18-11-15-31-16-18/h2-3,6-7,11,15-17H,4-5,8-10,12-14H2,1H3
InChIKeySJCGFMHZFAQTRW-UHFFFAOYSA-N
XLogP4.28
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-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-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide (CID 55670626) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is SJCGFMHZFAQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-26(24(12-5-4-8-21(24)28)19-6-2-3-7-20(19)25)22(29)17-9-13-27(14-10-17)23(30)18-11-15-31-16-18/h2-3,6-7,11,15-17H,4-5,8-10,12-14H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 442.94 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55670626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).