1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone

C26H35N5O — CID 46072549

About 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone

1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone (PubChem CID 46072549) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
• PubChem CID: 46072549
• Molecular Formula: C26H35N5O
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.28
• IUPAC Name: 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
• SMILES: CC1CCN(c2nc3c(c(N4CCCCC4)n2)CN(C(=O)Cc2ccccc2)CC3)CC1
• InChI: InChI=1S/C26H35N5O/c1-20-10-15-30(16-11-20)26-27-23-12-17-31(24(32)18-21-8-4-2-5-9-21)19-22(23)25(28-26)29-13-6-3-7-14-29/h2,4-5,8-9,20H,3,6-7,10-19H2,1H3
• InChIKey: MCNQDEQSNDHOHJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 52.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone (CID 46072549) is 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone.

What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone is CC1CCN(c2nc3c(c(N4CCCCC4)n2)CN(C(=O)Cc2ccccc2)CC3)CC1.

What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The InChIKey is MCNQDEQSNDHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-20-10-15-30(16-11-20)26-27-23-12-17-31(24(32)18-21-8-4-2-5-9-21)19-22(23)25(28-26)29-13-6-3-7-14-29/h2,4-5,8-9,20H,3,6-7,10-19H2,1H3.

What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone has a molecular weight of 433.60 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone is sourced from PubChem (CID 46072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).