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

C22H33N5O2 — CID 92584211

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

1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 92584211) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
• PubChem CID: 92584211
• Molecular Formula: C22H33N5O2
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.26
• IUPAC Name: 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
• SMILES: CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)CN4CCC(C)CC4)C3)ncc2C1
• InChI: InChI=1S/C22H33N5O2/c1-16-5-9-25(10-6-16)15-21(29)27-8-3-4-18(13-27)22-23-12-19-14-26(17(2)28)11-7-20(19)24-22/h12,16,18H,3-11,13-15H2,1-2H3/t18-/m1/s1
• InChIKey: STZMDJDYWCWRGP-GOSISDBHSA-N
• XLogP: 1.82
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 92584211) is 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

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

The canonical SMILES for 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is CC(=O)N1CCc2nc([C@@H]3CCCN(C(=O)CN4CCC(C)CC4)C3)ncc2C1.

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

The InChIKey is STZMDJDYWCWRGP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-5-9-25(10-6-16)15-21(29)27-8-3-4-18(13-27)22-23-12-19-14-26(17(2)28)11-7-20(19)24-22/h12,16,18H,3-11,13-15H2,1-2H3/t18-/m1/s1.

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

1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 399.54 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 92584211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).