N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C23H28N2O3S — CID 112789008

IUPACN-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)NC3CCC(O)CC3)C2c2cccs2)cc1
InChIInChI=1S/C23H28N2O3S/c1-15-4-8-17(9-5-15)25-21(27)13-12-19(22(25)20-3-2-14-29-20)23(28)24-16-6-10-18(26)11-7-16/h2-5,8-9,14,16,18-19,22,26H,6-7,10-13H2,1H3,(H,24,28)
InChIKeyDARYBRPEJGLQQI-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.96
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 112789008) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID112789008
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)NC3CCC(O)CC3)C2c2cccs2)cc1
InChIInChI=1S/C23H28N2O3S/c1-15-4-8-17(9-5-15)25-21(27)13-12-19(22(25)20-3-2-14-29-20)23(28)24-16-6-10-18(26)11-7-16/h2-5,8-9,14,16,18-19,22,26H,6-7,10-13H2,1H3,(H,24,28)
InChIKeyDARYBRPEJGLQQI-UHFFFAOYSA-N
XLogP3.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-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-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 112789008) is N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CCC(C(=O)NC3CCC(O)CC3)C2c2cccs2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is DARYBRPEJGLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-15-4-8-17(9-5-15)25-21(27)13-12-19(22(25)20-3-2-14-29-20)23(28)24-16-6-10-18(26)11-7-16/h2-5,8-9,14,16,18-19,22,26H,6-7,10-13H2,1H3,(H,24,28).
What are the key properties of N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 112789008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).