4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C15H16ClN3O2S — CID 135890761

IUPAC4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H16ClN3O2S/c1-9-17-11(8-14(20)18-9)10-4-6-19(7-5-10)15(21)12-2-3-13(16)22-12/h2-3,8,10H,4-7H2,1H3,(H,17,18,20)
InChIKeyHIRACDVIDLTRII-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.81
Rot. Bonds2

About 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135890761) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135890761
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H16ClN3O2S/c1-9-17-11(8-14(20)18-9)10-4-6-19(7-5-10)15(21)12-2-3-13(16)22-12/h2-3,8,10H,4-7H2,1H3,(H,17,18,20)
InChIKeyHIRACDVIDLTRII-UHFFFAOYSA-N
XLogP2.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 135890761) is 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HIRACDVIDLTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9-17-11(8-14(20)18-9)10-4-6-19(7-5-10)15(21)12-2-3-13(16)22-12/h2-3,8,10H,4-7H2,1H3,(H,17,18,20).
What are the key properties of 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 337.83 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).