4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one

C21H28N2O3 — CID 72906651

IUPAC4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1CC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C21H28N2O3/c24-19-13-18(12-17-6-2-1-3-7-17)14-23(19)15-20(25)22-10-11-26-21(16-22)8-4-5-9-21/h1-3,6-7,18H,4-5,8-16H2
InChIKeyLAKXLUHWDUBCEL-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.25
Rot. Bonds4

About 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one

4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 72906651) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID72906651
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1CC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C21H28N2O3/c24-19-13-18(12-17-6-2-1-3-7-17)14-23(19)15-20(25)22-10-11-26-21(16-22)8-4-5-9-21/h1-3,6-7,18H,4-5,8-16H2
InChIKeyLAKXLUHWDUBCEL-UHFFFAOYSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
CID 97270312
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 72901081
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-(3-cyclopentylpropyl)-N-methylacetamide
CID 97273461
1-(9-acetyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(3-chlorophenyl)ethanone
CID 134787981
(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
CID 97273158
5-bromo-N-[2-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)-2-oxoethyl]furan-2-carboxamide
CID 136515394
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
CID 72925762
4-(bromomethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168504855
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one (CID 72906651) is 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one is O=C1CC(Cc2ccccc2)CN1CC(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is LAKXLUHWDUBCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19-13-18(12-17-6-2-1-3-7-17)14-23(19)15-20(25)22-10-11-26-21(16-22)8-4-5-9-21/h1-3,6-7,18H,4-5,8-16H2.
What are the key properties of 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one?
4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 72906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).