2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H30N4O2 — CID 92608958

About 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92608958) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92608958
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1
• InChI: InChI=1S/C22H30N4O2/c1-25-10-8-20-18(13-25)12-23-22(24-20)17-5-4-9-26(15-17)14-16-6-7-19(27-2)11-21(16)28-3/h6-7,11-12,17H,4-5,8-10,13-15H2,1-3H3/t17-/m1/s1
• InChIKey: AVZUHSNKJCQCFY-QGZVFWFLSA-N
• XLogP: 2.86
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92608958) is 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1.

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

The InChIKey is AVZUHSNKJCQCFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25-10-8-20-18(13-25)12-23-22(24-20)17-5-4-9-26(15-17)14-16-6-7-19(27-2)11-21(16)28-3/h6-7,11-12,17H,4-5,8-10,13-15H2,1-3H3/t17-/m1/s1.

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

2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 382.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92608958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).