2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid

C24H28N2O3 — CID 163311970

IUPAC2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCCC23CCCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H28N2O3/c27-22(28)16-19-8-10-21(11-9-19)18-26-15-5-13-24(26)12-4-14-25(23(24)29)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2,(H,27,28)
InChIKeyXAUANNFCGBZMOQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid

2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid (PubChem CID 163311970) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
PubChem CID163311970
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCCC23CCCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H28N2O3/c27-22(28)16-19-8-10-21(11-9-19)18-26-15-5-13-24(26)12-4-14-25(23(24)29)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2,(H,27,28)
InChIKeyXAUANNFCGBZMOQ-UHFFFAOYSA-N
XLogP3.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid with MolForge

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Related Compounds

9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
1-[(2-amino-3-pyridinyl)methyl]-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628202
4-[[10-oxo-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-1-yl]methyl]benzonitrile
CID 162626493
1-[(2-chloro-3-hydroxyphenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634689
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
9-benzyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163319449
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid (CID 163311970) is 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CN2CCCC23CCCN(Cc2ccccc2)C3=O)cc1.
What is the InChIKey of 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid?
The InChIKey is XAUANNFCGBZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-22(28)16-19-8-10-21(11-9-19)18-26-15-5-13-24(26)12-4-14-25(23(24)29)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2,(H,27,28).
What are the key properties of 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid?
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid has a molecular weight of 392.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 163311970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).