2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C31H43N3O2 — CID 67370670

IUPAC2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(CN2CC3(CCN(C[C@H]4CN(CC(C)C)C[C@@H]4c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C31H43N3O2/c1-24(2)18-33-21-27(29(22-33)26-7-5-4-6-8-26)20-32-15-13-31(14-16-32)17-30(35)34(23-31)19-25-9-11-28(36-3)12-10-25/h4-12,24,27,29H,13-23H2,1-3H3/t27-,29+/m0/s1
InChIKeySNVDCBHAWHYCMT-LMSSTIIKSA-N
MW489.70 g/mol
LogP4.88
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 67370670) has the molecular formula C31H43N3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID67370670
Molecular FormulaC31H43N3O2
Molecular Weight489.70 g/mol
Exact Mass489.34
IUPAC Name2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(CN2CC3(CCN(C[C@H]4CN(CC(C)C)C[C@@H]4c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C31H43N3O2/c1-24(2)18-33-21-27(29(22-33)26-7-5-4-6-8-26)20-32-15-13-31(14-16-32)17-30(35)34(23-31)19-25-9-11-28(36-3)12-10-25/h4-12,24,27,29H,13-23H2,1-3H3/t27-,29+/m0/s1
InChIKeySNVDCBHAWHYCMT-LMSSTIIKSA-N
XLogP4.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.70
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 67370670) is 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is COc1ccc(CN2CC3(CCN(C[C@H]4CN(CC(C)C)C[C@@H]4c4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SNVDCBHAWHYCMT-LMSSTIIKSA-N. The full InChI is InChI=1S/C31H43N3O2/c1-24(2)18-33-21-27(29(22-33)26-7-5-4-6-8-26)20-32-15-13-31(14-16-32)17-30(35)34(23-31)19-25-9-11-28(36-3)12-10-25/h4-12,24,27,29H,13-23H2,1-3H3/t27-,29+/m0/s1.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 489.70 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-1-(2-methylpropyl)-4-phenylpyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 67370670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).