3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide

C21H22N4OS — CID 118771806

IUPAC3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccs2)CC1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C21H22N4OS/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1-5,10-13,15,19H,6-9,14H2,(H,24,26)
InChIKeyRIQCMNDGGHQIBW-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.60
Rot. Bonds5

About 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide

3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 118771806) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
PubChem CID118771806
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2cccs2)CC1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C21H22N4OS/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1-5,10-13,15,19H,6-9,14H2,(H,24,26)
InChIKeyRIQCMNDGGHQIBW-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide 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 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide (CID 118771806) is 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2cccs2)CC1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is RIQCMNDGGHQIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1-5,10-13,15,19H,6-9,14H2,(H,24,26).
What are the key properties of 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide?
3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 118771806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).