(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H23N3O3 — CID 97373948

About (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373948) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97373948
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1
• InChI: InChI=1S/C21H23N3O3/c1-27-17-6-4-5-16(13-17)14-23-11-8-21(20(23)26)9-12-24(15-21)19(25)18-7-2-3-10-22-18/h2-7,10,13H,8-9,11-12,14-15H2,1H3/t21-/m0/s1
• InChIKey: PRBFGWRIKMQRKI-NRFANRHFSA-N
• XLogP: 2.36
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97373948) is (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

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

The canonical SMILES for (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2=O)c1.

What is the InChIKey of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is PRBFGWRIKMQRKI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-6-4-5-16(13-17)14-23-11-8-21(20(23)26)9-12-24(15-21)19(25)18-7-2-3-10-22-18/h2-7,10,13H,8-9,11-12,14-15H2,1H3/t21-/m0/s1.

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

(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 365.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).