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

C23H30N4O — CID 92581997

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

1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 92581997) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 92581997
• Molecular Formula: C23H30N4O
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.24
• IUPAC Name: 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2ncc3c(n2)CCN(C[C@H](C)c2ccccc2)C3)CC1
• InChI: InChI=1S/C23H30N4O/c1-17(19-6-4-3-5-7-19)15-26-11-10-22-21(16-26)14-24-23(25-22)20-8-12-27(13-9-20)18(2)28/h3-7,14,17,20H,8-13,15-16H2,1-2H3/t17-/m0/s1
• InChIKey: QECOHRCNTQVKDB-KRWDZBQOSA-N
• XLogP: 3.36
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 92581997) is 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ncc3c(n2)CCN(C[C@H](C)c2ccccc2)C3)CC1.

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

The InChIKey is QECOHRCNTQVKDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17(19-6-4-3-5-7-19)15-26-11-10-22-21(16-26)14-24-23(25-22)20-8-12-27(13-9-20)18(2)28/h3-7,14,17,20H,8-13,15-16H2,1-2H3/t17-/m0/s1.

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

1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 378.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[(2R)-2-phenylpropyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92581997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).