1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide

C22H26N4O2S — CID 135631106

IUPAC1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1
InChIInChI=1S/C22H26N4O2S/c1-3-10-23-20(27)16-5-4-11-26(12-16)22-24-18-17(13-29-19(18)21(28)25-22)15-8-6-14(2)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,23,27)(H,24,25,28)
InChIKeyJZWNKAMQSYMPMU-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.70
Rot. Bonds5

About 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide

1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide (PubChem CID 135631106) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
PubChem CID135631106
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1
InChIInChI=1S/C22H26N4O2S/c1-3-10-23-20(27)16-5-4-11-26(12-16)22-24-18-17(13-29-19(18)21(28)25-22)15-8-6-14(2)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,23,27)(H,24,25,28)
InChIKeyJZWNKAMQSYMPMU-UHFFFAOYSA-N
XLogP3.70
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-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

Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 136865171
N-(furan-2-ylmethyl)-1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 135631129
(3S)-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 136897031
(3S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 136851808
(3S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 136865181
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 135631065
N-[(3,5-difluorophenyl)methyl]-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 135631078
N-[2-(cyclohexen-1-yl)ethyl]-1-[7-(2-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 135631185
N-(4-methylcyclohexyl)-1-[7-(2-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 135631182
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 136897009
(3S)-1-[7-(2-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 136897077
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide (CID 135631106) is 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1.
What is the InChIKey of 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide?
The InChIKey is JZWNKAMQSYMPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-10-23-20(27)16-5-4-11-26(12-16)22-24-18-17(13-29-19(18)21(28)25-22)15-8-6-14(2)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,23,27)(H,24,25,28).
What are the key properties of 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide?
1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 135631106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).