(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione

C21H22N2O3 — CID 12968985

IUPAC(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1ccccc1[C@H]1CNC(=O)[C@]12CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-26-18-10-6-5-9-16(18)17-13-22-20(25)21(17)12-11-19(24)23(21)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,25)/t17-,21+/m1/s1
InChIKeyFSWLBRIREJJFNG-UTKZUKDTSA-N
MW350.42 g/mol
LogP2.47
Rot. Bonds4

About (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione

(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione (PubChem CID 12968985) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione.

Molecular Properties

Compound Name(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
PubChem CID12968985
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1ccccc1[C@H]1CNC(=O)[C@]12CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-26-18-10-6-5-9-16(18)17-13-22-20(25)21(17)12-11-19(24)23(21)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,25)/t17-,21+/m1/s1
InChIKeyFSWLBRIREJJFNG-UTKZUKDTSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione with MolForge

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Related Compounds

(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372500
(5R,9R)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372501
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 153204590
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
3-benzyl-2-(2-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 87150981
(2S,5R)-1-benzyl-5-hydroxy-2-(2-methoxyphenyl)-5-methylpiperidin-4-one
CID 95988908
1-benzyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53422379
1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
CID 163217166
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 67782895

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The IUPAC name of (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione (CID 12968985) is (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione.
What is the SMILES notation for (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The canonical SMILES for (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione is COc1ccccc1[C@H]1CNC(=O)[C@]12CCC(=O)N2Cc1ccccc1.
What is the InChIKey of (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The InChIKey is FSWLBRIREJJFNG-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-18-10-6-5-9-16(18)17-13-22-20(25)21(17)12-11-19(24)23(21)14-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,25)/t17-,21+/m1/s1.
What are the key properties of (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione has a molecular weight of 350.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione is sourced from PubChem (CID 12968985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).