1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

C22H26N4OS — CID 2545933

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1
InChIInChI=1S/C22H26N4OS/c1-4-16-6-5-7-18(12-16)25-21(27)17-8-10-26(11-9-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h5-7,12-13,17H,4,8-11H2,1-3H3,(H,25,27)
InChIKeyGWHFFMZVBZEKBY-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.73
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (PubChem CID 2545933) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
PubChem CID2545933
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1
InChIInChI=1S/C22H26N4OS/c1-4-16-6-5-7-18(12-16)25-21(27)17-8-10-26(11-9-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h5-7,12-13,17H,4,8-11H2,1-3H3,(H,25,27)
InChIKeyGWHFFMZVBZEKBY-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (CID 2545933) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is GWHFFMZVBZEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-4-16-6-5-7-18(12-16)25-21(27)17-8-10-26(11-9-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h5-7,12-13,17H,4,8-11H2,1-3H3,(H,25,27).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).