(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C22H32N2O3 — CID 25384367

IUPAC(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(CC(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)cc1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)15-24-12-5-10-22(20(24)26)11-13-23(16-22)19(25)14-17-6-8-18(27-4)9-7-17/h6-9H,5,10-16H2,1-4H3/t22-/m0/s1
InChIKeySSZYXNOVRKNTFC-QFIPXVFZSA-N
MW372.51 g/mol
LogP3.12
Rot. Bonds4

About (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25384367) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25384367
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(CC(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)cc1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)15-24-12-5-10-22(20(24)26)11-13-23(16-22)19(25)14-17-6-8-18(27-4)9-7-17/h6-9H,5,10-16H2,1-4H3/t22-/m0/s1
InChIKeySSZYXNOVRKNTFC-QFIPXVFZSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(3,3-dimethylbutanoyl)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45192111
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45198728
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97120619
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25297438
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42298060

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 25384367) is (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(CC(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)cc1.
What is the InChIKey of (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SSZYXNOVRKNTFC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-21(2,3)15-24-12-5-10-22(20(24)26)11-13-23(16-22)19(25)14-17-6-8-18(27-4)9-7-17/h6-9H,5,10-16H2,1-4H3/t22-/m0/s1.
What are the key properties of (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25384367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).