N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide

C20H22N4OS — CID 133356434

IUPACN-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-14-2-4-15(5-3-14)12-21-19(25)16-6-9-24(10-7-16)18-17-8-11-26-20(17)23-13-22-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeySHTKLQJEALUQCV-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide (PubChem CID 133356434) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
PubChem CID133356434
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C20H22N4OS/c1-14-2-4-15(5-3-14)12-21-19(25)16-6-9-24(10-7-16)18-17-8-11-26-20(17)23-13-22-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,21,25)
InChIKeySHTKLQJEALUQCV-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-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

Related Compounds

1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78898388
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
1-[(4-methylphenyl)methyl]-4-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112814492
4-[3-[(4-methylphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 53230258
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133492295
1-imidazo[1,5-a]pyrazin-8-yl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 154780715
1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide (CID 133356434) is N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The InChIKey is SHTKLQJEALUQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-2-4-15(5-3-14)12-21-19(25)16-6-9-24(10-7-16)18-17-8-11-26-20(17)23-13-22-18/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,21,25).
What are the key properties of N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 133356434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).