7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H32N4O2S — CID 136681710

About 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681710) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136681710
• Molecular Formula: C24H32N4O2S
• Molecular Weight: 440.61 g/mol
• Exact Mass: 440.22
• IUPAC Name: 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2
• InChI: InChI=1S/C24H32N4O2S/c29-22(15-18-9-6-14-31-18)28-12-5-4-10-21(28)23-25-20-16-27(17-7-2-1-3-8-17)13-11-19(20)24(30)26-23/h6,9,14,17,21H,1-5,7-8,10-13,15-16H2,(H,25,26,30)/t21-/m1/s1
• InChIKey: VKXYWTTWDUWZFC-OAQYLSRUSA-N
• XLogP: 3.82
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.61
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681710) is 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2.

What is the InChIKey of 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is VKXYWTTWDUWZFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O2S/c29-22(15-18-9-6-14-31-18)28-12-5-4-10-21(28)23-25-20-16-27(17-7-2-1-3-8-17)13-11-19(20)24(30)26-23/h6,9,14,17,21H,1-5,7-8,10-13,15-16H2,(H,25,26,30)/t21-/m1/s1.

What are the key properties of 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 440.61 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-2-[(2R)-1-(2-thiophen-2-ylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).