N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

C18H22N2OS — CID 134803898

IUPACN-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-19-18(21)16-5-2-3-11-20(16)13-14-7-9-15(10-8-14)17-6-4-12-22-17/h4,6-10,12,16H,2-3,5,11,13H2,1H3,(H,19,21)
InChIKeyQVIZKKBSAXUDOQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.52
Rot. Bonds4

About N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134803898) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134803898
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-19-18(21)16-5-2-3-11-20(16)13-14-7-9-15(10-8-14)17-6-4-12-22-17/h4,6-10,12,16H,2-3,5,11,13H2,1H3,(H,19,21)
InChIKeyQVIZKKBSAXUDOQ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]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-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134803898) is N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is QVIZKKBSAXUDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19-18(21)16-5-2-3-11-20(16)13-14-7-9-15(10-8-14)17-6-4-12-22-17/h4,6-10,12,16H,2-3,5,11,13H2,1H3,(H,19,21).
What are the key properties of N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134803898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).