2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C27H35N3O2 — CID 58982011

About 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 58982011) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 58982011
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: COc1ccc(CN2CC3(CCN(C[C@H]4CNC[C@@H]4c4ccccc4)CC3)CC2=O)cc1
• InChI: InChI=1S/C27H35N3O2/c1-32-24-9-7-21(8-10-24)18-30-20-27(15-26(30)31)11-13-29(14-12-27)19-23-16-28-17-25(23)22-5-3-2-4-6-22/h2-10,23,25,28H,11-20H2,1H3/t23-,25-/m1/s1
• InChIKey: CGJSUBHCIMUGSZ-ILBGXUMGSA-N
• XLogP: 3.51
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 58982011) is 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is COc1ccc(CN2CC3(CCN(C[C@H]4CNC[C@@H]4c4ccccc4)CC3)CC2=O)cc1.

What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is CGJSUBHCIMUGSZ-ILBGXUMGSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-32-24-9-7-21(8-10-24)18-30-20-27(15-26(30)31)11-13-29(14-12-27)19-23-16-28-17-25(23)22-5-3-2-4-6-22/h2-10,23,25,28H,11-20H2,1H3/t23-,25-/m1/s1.

What are the key properties of 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?

2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 433.60 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methyl]-8-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 58982011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).