N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H24N4OS — CID 126779994

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc4c(s3)CCC4)CC2)nc(C)n1
InChIInChI=1S/C19H24N4OS/c1-12-10-18(21-13(2)20-12)23-8-6-15(7-9-23)22-19(24)17-11-14-4-3-5-16(14)25-17/h10-11,15H,3-9H2,1-2H3,(H,22,24)
InChIKeyIWZVVMATPWCSQE-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.04
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 126779994) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID126779994
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cc4c(s3)CCC4)CC2)nc(C)n1
InChIInChI=1S/C19H24N4OS/c1-12-10-18(21-13(2)20-12)23-8-6-15(7-9-23)22-19(24)17-11-14-4-3-5-16(14)25-17/h10-11,15H,3-9H2,1-2H3,(H,22,24)
InChIKeyIWZVVMATPWCSQE-UHFFFAOYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 126779994) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1cc(N2CCC(NC(=O)c3cc4c(s3)CCC4)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is IWZVVMATPWCSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-10-18(21-13(2)20-12)23-8-6-15(7-9-23)22-19(24)17-11-14-4-3-5-16(14)25-17/h10-11,15H,3-9H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 126779994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).