1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

C24H32N4O2 — CID 110263450

About 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one

1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 110263450) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

• Compound Name: 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
• PubChem CID: 110263450
• Molecular Formula: C24H32N4O2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.25
• IUPAC Name: 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
• SMILES: COCCC(=O)N1CCCC(c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1
• InChI: InChI=1S/C24H32N4O2/c1-18-21-11-7-14-28(16-19-8-4-3-5-9-19)24(21)26-23(25-18)20-10-6-13-27(17-20)22(29)12-15-30-2/h3-5,8-9,20H,6-7,10-17H2,1-2H3
• InChIKey: ULZQJNPBUFDFKP-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one (CID 110263450) is 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one.

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

The canonical SMILES for 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCC(c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1.

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

The InChIKey is ULZQJNPBUFDFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-21-11-7-14-28(16-19-8-4-3-5-9-19)24(21)26-23(25-18)20-10-6-13-27(17-20)22(29)12-15-30-2/h3-5,8-9,20H,6-7,10-17H2,1-2H3.

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

1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 408.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 110263450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).