2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H30N4O4S — CID 136796181

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)N1CCc2nc(C3CCCN(C(=O)C4CCCCC4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C20H30N4O4S/c1-29(27,28)24-11-9-17-16(13-24)19(25)22-18(21-17)15-8-5-10-23(12-15)20(26)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,21,22,25)
InChIKeyUXJARQFOTFOVDI-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.37
Rot. Bonds3

About 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796181) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796181
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)N1CCc2nc(C3CCCN(C(=O)C4CCCCC4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C20H30N4O4S/c1-29(27,28)24-11-9-17-16(13-24)19(25)22-18(21-17)15-8-5-10-23(12-15)20(26)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,21,22,25)
InChIKeyUXJARQFOTFOVDI-UHFFFAOYSA-N
XLogP1.37
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796181) is 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CS(=O)(=O)N1CCc2nc(C3CCCN(C(=O)C4CCCCC4)C3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UXJARQFOTFOVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-29(27,28)24-11-9-17-16(13-24)19(25)22-18(21-17)15-8-5-10-23(12-15)20(26)14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,21,22,25).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 422.55 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).