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

C22H28N4O — CID 7328890

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

1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one (PubChem CID 7328890) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
• PubChem CID: 7328890
• Molecular Formula: C22H28N4O
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.23
• IUPAC Name: 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
• SMILES: CCCC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1
• InChI: InChI=1S/C22H28N4O/c1-2-9-20(27)26-15-12-19-18(16-26)22(25-13-7-4-8-14-25)24-21(23-19)17-10-5-3-6-11-17/h3,5-6,10-11H,2,4,7-9,12-16H2,1H3
• InChIKey: QCBCMAUMAJIEQU-UHFFFAOYSA-N
• XLogP: 3.82
• 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	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one (CID 7328890) is 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one.

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

The canonical SMILES for 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one is CCCC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1.

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

The InChIKey is QCBCMAUMAJIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-9-20(27)26-15-12-19-18(16-26)22(25-13-7-4-8-14-25)24-21(23-19)17-10-5-3-6-11-17/h3,5-6,10-11H,2,4,7-9,12-16H2,1H3.

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

1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one is sourced from PubChem (CID 7328890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).