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

C23H30N4O2 — CID 92561410

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

1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92561410) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 92561410
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• SMILES: COc1c(C)cccc1CN1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1
• InChI: InChI=1S/C23H30N4O2/c1-16-6-4-7-18(22(16)29-3)13-26-10-5-8-19(14-26)23-24-12-20-15-27(17(2)28)11-9-21(20)25-23/h4,6-7,12,19H,5,8-11,13-15H2,1-3H3/t19-/m1/s1
• InChIKey: ZBSHNDKJBLCOBQ-LJQANCHMSA-N
• XLogP: 3.08
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92561410) is 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

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

The canonical SMILES for 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is COc1c(C)cccc1CN1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1.

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

The InChIKey is ZBSHNDKJBLCOBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-6-4-7-18(22(16)29-3)13-26-10-5-8-19(14-26)23-24-12-20-15-27(17(2)28)11-9-21(20)25-23/h4,6-7,12,19H,5,8-11,13-15H2,1-3H3/t19-/m1/s1.

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

1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92561410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).