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

C22H28N4O — CID 110241432

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

1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one (PubChem CID 110241432) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
• PubChem CID: 110241432
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
• SMILES: CN1CCCC(c2ncc3c(n2)CCN(C(=O)CCc2ccccc2)C3)C1
• InChI: InChI=1S/C22H28N4O/c1-25-12-5-8-18(15-25)22-23-14-19-16-26(13-11-20(19)24-22)21(27)10-9-17-6-3-2-4-7-17/h2-4,6-7,14,18H,5,8-13,15-16H2,1H3
• InChIKey: QFIZNJHVCPCSFH-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one (CID 110241432) is 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one.

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

The canonical SMILES for 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one is CN1CCCC(c2ncc3c(n2)CCN(C(=O)CCc2ccccc2)C3)C1.

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

The InChIKey is QFIZNJHVCPCSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-25-12-5-8-18(15-25)22-23-14-19-16-26(13-11-20(19)24-22)21(27)10-9-17-6-3-2-4-7-17/h2-4,6-7,14,18H,5,8-13,15-16H2,1H3.

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

1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one has a molecular weight of 364.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110241432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).