1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C24H32N4O — CID 92581213

About 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92581213) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 92581213
• Molecular Formula: C24H32N4O
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.26
• IUPAC Name: 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1
• InChI: InChI=1S/C24H32N4O/c1-17(2)20-8-6-19(7-9-20)14-27-11-4-5-21(15-27)24-25-13-22-16-28(18(3)29)12-10-23(22)26-24/h6-9,13,17,21H,4-5,10-12,14-16H2,1-3H3/t21-/m0/s1
• InChIKey: ZWPFEKNSWDKOQP-NRFANRHFSA-N
• XLogP: 3.88
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92581213) is 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

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

The canonical SMILES for 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)ncc2C1.

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

The InChIKey is ZWPFEKNSWDKOQP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O/c1-17(2)20-8-6-19(7-9-20)14-27-11-4-5-21(15-27)24-25-13-22-16-28(18(3)29)12-10-23(22)26-24/h6-9,13,17,21H,4-5,10-12,14-16H2,1-3H3/t21-/m0/s1.

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

1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 392.55 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92581213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).