2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C22H32N2O2 — CID 45169982

IUPAC2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cccc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c1
InChIInChI=1S/C22H32N2O2/c1-17(25)19-8-5-7-18(13-19)14-23-12-10-22(16-23)9-6-11-24(20(22)26)15-21(2,3)4/h5,7-8,13H,6,9-12,14-16H2,1-4H3
InChIKeyHBNLJALWUSEQBE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.75
Rot. Bonds4

About 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45169982) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45169982
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(=O)c1cccc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c1
InChIInChI=1S/C22H32N2O2/c1-17(25)19-8-5-7-18(13-19)14-23-12-10-22(16-23)9-6-11-24(20(22)26)15-21(2,3)4/h5,7-8,13H,6,9-12,14-16H2,1-4H3
InChIKeyHBNLJALWUSEQBE-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
(5R)-7-(cyclopropylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26318692
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205279
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97122532
(5S)-7-[(3-methylphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113986
N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45222420
(5R)-N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 25447593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45169982) is 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is CC(=O)c1cccc(CN2CCC3(CCCN(CC(C)(C)C)C3=O)C2)c1.
What is the InChIKey of 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HBNLJALWUSEQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(25)19-8-5-7-18(13-19)14-23-12-10-22(16-23)9-6-11-24(20(22)26)15-21(2,3)4/h5,7-8,13H,6,9-12,14-16H2,1-4H3.
What are the key properties of 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetylphenyl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45169982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).