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

C21H29N5O — CID 135946068

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

6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946068) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946068
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CCCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(N3CCCCC3)nc1)CC2
• InChI: InChI=1S/C21H29N5O/c1-2-6-19-23-18-9-12-25(15-17(18)21(27)24-19)14-16-7-8-20(22-13-16)26-10-4-3-5-11-26/h7-8,13H,2-6,9-12,14-15H2,1H3,(H,23,24,27)
• InChIKey: ONRPOKDRSVTNRC-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946068) is 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(N3CCCCC3)nc1)CC2.

What is the InChIKey of 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is ONRPOKDRSVTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-6-19-23-18-9-12-25(15-17(18)21(27)24-19)14-16-7-8-20(22-13-16)26-10-4-3-5-11-26/h7-8,13H,2-6,9-12,14-15H2,1H3,(H,23,24,27).

What are the key properties of 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 367.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).