11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C22H31N3O3 — CID 155497544

IUPAC11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)C1
InChIInChI=1S/C22H31N3O3/c1-23-11-7-19(16-23)21(27)24-12-9-22(10-13-24)17-25(20(26)8-14-28-22)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeySLUBJVGLIVWEJS-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.75
Rot. Bonds3

About 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155497544) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155497544
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESCN1CCC(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)C1
InChIInChI=1S/C22H31N3O3/c1-23-11-7-19(16-23)21(27)24-12-9-22(10-13-24)17-25(20(26)8-14-28-22)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3
InChIKeySLUBJVGLIVWEJS-UHFFFAOYSA-N
XLogP1.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one 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

3-(oxolane-3-carbonyl)-11-(3-phenylpropyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 135117107
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131908824
2-benzyl-9-[(4S)-1-methyl-2-oxoimidazolidine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97135499
9-[(3R)-1-methylpyrrolidine-3-carbonyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97148800
2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72856189
formic acid;(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 154913194
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
(5S)-5-(4-acetyl-4-phenylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 29087489
3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155506647
N,N-dimethyl-2-[10-oxo-3-(pyridin-3-ylmethyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]acetamide
CID 155503725

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155497544) is 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is CN1CCC(C(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)CCO3)C1.
What is the InChIKey of 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is SLUBJVGLIVWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-23-11-7-19(16-23)21(27)24-12-9-22(10-13-24)17-25(20(26)8-14-28-22)15-18-5-3-2-4-6-18/h2-6,19H,7-17H2,1H3.
What are the key properties of 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 385.51 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155497544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).