1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C17H22N4OS — CID 656010

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-10-13(2)20-17(19-12)21-7-5-14(6-8-21)16(22)18-11-15-4-3-9-23-15/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,18,22)
InChIKeyOCRNCYGDTMEUTA-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.69
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 656010) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID656010
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-10-13(2)20-17(19-12)21-7-5-14(6-8-21)16(22)18-11-15-4-3-9-23-15/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,18,22)
InChIKeyOCRNCYGDTMEUTA-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)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 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 656010) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is OCRNCYGDTMEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-10-13(2)20-17(19-12)21-7-5-14(6-8-21)16(22)18-11-15-4-3-9-23-15/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,18,22).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 656010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).