4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

C24H29N7O — CID 136765752

About 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one

4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136765752) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
• PubChem CID: 136765752
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
• SMILES: O=c1cc(C2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2cccnc2)[nH]1
• InChI: InChI=1S/C24H29N7O/c32-22-12-21(28-23(29-22)19-6-4-8-25-15-19)20-7-5-9-30(17-20)16-18-13-26-24(27-14-18)31-10-2-1-3-11-31/h4,6,8,12-15,20H,1-3,5,7,9-11,16-17H2,(H,28,29,32)
• InChIKey: NHORCNFEONJTEK-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The IUPAC name of 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 136765752) is 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The canonical SMILES for 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is O=c1cc(C2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2cccnc2)[nH]1.

What is the InChIKey of 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The InChIKey is NHORCNFEONJTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c32-22-12-21(28-23(29-22)19-6-4-8-25-15-19)20-7-5-9-30(17-20)16-18-13-26-24(27-14-18)31-10-2-1-3-11-31/h4,6,8,12-15,20H,1-3,5,7,9-11,16-17H2,(H,28,29,32).

What are the key properties of 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 431.54 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136765752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).