2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one

C25H30N2O3 — CID 91909937

IUPAC2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOc1ccc(CN2CC3(CCN(C(=O)CCCc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-30-22-12-10-21(11-13-22)18-27-19-25(24(27)29)14-16-26(17-15-25)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13H,5,8-9,14-19H2,1H3
InChIKeyXLDGBUUCPKYQBE-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.67
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one

2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 91909937) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID91909937
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCOc1ccc(CN2CC3(CCN(C(=O)CCCc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-30-22-12-10-21(11-13-22)18-27-19-25(24(27)29)14-16-26(17-15-25)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13H,5,8-9,14-19H2,1H3
InChIKeyXLDGBUUCPKYQBE-UHFFFAOYSA-N
XLogP3.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-3-oxo-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 91909934
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
(3R)-1-[4-(4-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686375
1-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one
CID 95726741
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177050
7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226503
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 91909937) is 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one is COc1ccc(CN2CC3(CCN(C(=O)CCCc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is XLDGBUUCPKYQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-22-12-10-21(11-13-22)18-27-19-25(24(27)29)14-16-26(17-15-25)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-13H,5,8-9,14-19H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 406.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-7-(4-phenylbutanoyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 91909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).