1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide

C19H20N4OS — CID 133408219

IUPAC1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)Nc4ccccc4)C3)ncnc2s1
InChIInChI=1S/C19H20N4OS/c1-13-10-16-17(20-12-21-19(16)25-13)23-9-5-6-14(11-23)18(24)22-15-7-3-2-4-8-15/h2-4,7-8,10,12,14H,5-6,9,11H2,1H3,(H,22,24)
InChIKeyWFHPLDMUDQRAIQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.85
Rot. Bonds3

About 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide (PubChem CID 133408219) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
PubChem CID133408219
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)Nc4ccccc4)C3)ncnc2s1
InChIInChI=1S/C19H20N4OS/c1-13-10-16-17(20-12-21-19(16)25-13)23-9-5-6-14(11-23)18(24)22-15-7-3-2-4-8-15/h2-4,7-8,10,12,14H,5-6,9,11H2,1H3,(H,22,24)
InChIKeyWFHPLDMUDQRAIQ-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46362863
(3R)-N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877193
(3R)-N-(4-chlorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877233
(3R)-N-(3-cyanophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877191
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92877263
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877083
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133409285
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide (CID 133408219) is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide is Cc1cc2c(N3CCCC(C(=O)Nc4ccccc4)C3)ncnc2s1.
What is the InChIKey of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is WFHPLDMUDQRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-10-16-17(20-12-21-19(16)25-13)23-9-5-6-14(11-23)18(24)22-15-7-3-2-4-8-15/h2-4,7-8,10,12,14H,5-6,9,11H2,1H3,(H,22,24).
What are the key properties of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide?
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 133408219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).