(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

C20H24N4O2 — CID 97451677

About (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97451677) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97451677
• Molecular Formula: C20H24N4O2
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.19
• IUPAC Name: (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1cccc(CN2CC[C@@]3(CCN(c4ncc(C)cn4)C3)C2=O)c1
• InChI: InChI=1S/C20H24N4O2/c1-15-11-21-19(22-12-15)24-9-7-20(14-24)6-8-23(18(20)25)13-16-4-3-5-17(10-16)26-2/h3-5,10-12H,6-9,13-14H2,1-2H3/t20-/m0/s1
• InChIKey: NBWSJDBBCHGKQH-FQEVSTJZSA-N
• XLogP: 2.42
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97451677) is (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cccc(CN2CC[C@@]3(CCN(c4ncc(C)cn4)C3)C2=O)c1.

What is the InChIKey of (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is NBWSJDBBCHGKQH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-11-21-19(22-12-15)24-9-7-20(14-24)6-8-23(18(20)25)13-16-4-3-5-17(10-16)26-2/h3-5,10-12H,6-9,13-14H2,1-2H3/t20-/m0/s1.

What are the key properties of (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?

(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 352.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97451677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).