1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H26N4O2S — CID 46362782

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)ncnc2s1
InChIInChI=1S/C22H26N4O2S/c1-3-18-12-19-20(24-14-25-22(19)29-18)26-10-8-16(9-11-26)21(27)23-13-15-4-6-17(28-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,23,27)
InChIKeyXLQJWWJKUAOTFG-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.80
Rot. Bonds6

About 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46362782) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46362782
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1cc2c(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)ncnc2s1
InChIInChI=1S/C22H26N4O2S/c1-3-18-12-19-20(24-14-25-22(19)29-18)26-10-8-16(9-11-26)21(27)23-13-15-4-6-17(28-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,23,27)
InChIKeyXLQJWWJKUAOTFG-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362799
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877223
(3R)-N-(2,4-dimethoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877085
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165885
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 60507618
N-[(4-methylphenyl)methyl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 133356434
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 31538355

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 46362782) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is CCc1cc2c(N3CCC(C(=O)NCc4ccc(OC)cc4)CC3)ncnc2s1.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XLQJWWJKUAOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-18-12-19-20(24-14-25-22(19)29-18)26-10-8-16(9-11-26)21(27)23-13-15-4-6-17(28-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3,(H,23,27).
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).