N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

C18H21N3O2S — CID 45180964

IUPACN-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H21N3O2S/c1-20(10-14-7-9-24-13-14)18(23)15-5-6-17(22)21(11-15)12-16-4-2-3-8-19-16/h2-4,7-9,13,15H,5-6,10-12H2,1H3
InChIKeyAMIPEVMFPTZMAG-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 45180964) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
PubChem CID45180964
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H21N3O2S/c1-20(10-14-7-9-24-13-14)18(23)15-5-6-17(22)21(11-15)12-16-4-2-3-8-19-16/h2-4,7-9,13,15H,5-6,10-12H2,1H3
InChIKeyAMIPEVMFPTZMAG-UHFFFAOYSA-N
XLogP2.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-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-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (CID 45180964) is N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccsc1)C(=O)C1CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is AMIPEVMFPTZMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-20(10-14-7-9-24-13-14)18(23)15-5-6-17(22)21(11-15)12-16-4-2-3-8-19-16/h2-4,7-9,13,15H,5-6,10-12H2,1H3.
What are the key properties of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45180964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).