[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone

C21H28N2O3 — CID 71956548

IUPAC[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1C(=O)N1C(C(=O)N2CCCC2)COC12CCCCC2
InChIInChI=1S/C21H28N2O3/c1-16-9-3-4-10-17(16)19(24)23-18(20(25)22-13-7-8-14-22)15-26-21(23)11-5-2-6-12-21/h3-4,9-10,18H,2,5-8,11-15H2,1H3
InChIKeyMUJFJFIQTVFYBQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.12
Rot. Bonds2

About [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone

[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71956548) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID71956548
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1C(=O)N1C(C(=O)N2CCCC2)COC12CCCCC2
InChIInChI=1S/C21H28N2O3/c1-16-9-3-4-10-17(16)19(24)23-18(20(25)22-13-7-8-14-22)15-26-21(23)11-5-2-6-12-21/h3-4,9-10,18H,2,5-8,11-15H2,1H3
InChIKeyMUJFJFIQTVFYBQ-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 71955902
3,3-dimethyl-1-[4-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 71955196
[(3R)-8-(2-methylbenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 93137842
[(3R)-8-(3-chlorobenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 93137886
[8-(3,4-dichlorobenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 42821049
4-(2-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 24715382
[(3R)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 93019308
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[8-(2-fluorobenzoyl)-4-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 71956094
1-[4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 46110821
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144858

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone (CID 71956548) is [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1C(=O)N1C(C(=O)N2CCCC2)COC12CCCCC2.
What is the InChIKey of [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MUJFJFIQTVFYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-9-3-4-10-17(16)19(24)23-18(20(25)22-13-7-8-14-22)15-26-21(23)11-5-2-6-12-21/h3-4,9-10,18H,2,5-8,11-15H2,1H3.
What are the key properties of [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone?
[4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71956548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).