(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone

C21H28N2O3 — CID 58199416

IUPAC(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)OC1(CCN(C3CCC3)CC1)OC2)N1CCCC1
InChIInChI=1S/C21H28N2O3/c24-20(23-10-1-2-11-23)16-6-7-17-15-25-21(26-19(17)14-16)8-12-22(13-9-21)18-4-3-5-18/h6-7,14,18H,1-5,8-13,15H2
InChIKeyQFBANJQMZLKRFH-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.18
Rot. Bonds2

About (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone

(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone (PubChem CID 58199416) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone
PubChem CID58199416
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)OC1(CCN(C3CCC3)CC1)OC2)N1CCCC1
InChIInChI=1S/C21H28N2O3/c24-20(23-10-1-2-11-23)16-6-7-17-15-25-21(26-19(17)14-16)8-12-22(13-9-21)18-4-3-5-18/h6-7,14,18H,1-5,8-13,15H2
InChIKeyQFBANJQMZLKRFH-UHFFFAOYSA-N
XLogP3.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-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-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 58199424
[1-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-(pyrrolidine-1-carbonyl)cyclobutyl] acetate
CID 58198885
4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
CID 58199006
[2-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 58199309
1'-cyclobutyl-6-nitrospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 58199306
(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
CID 126474186
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
CID 58199254
1-(4-chlorophenyl)-3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)urea
CID 58199235
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
CID 58199036
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
CID 58199503
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N-methyl-N-phenylpiperazine-1-carboxamide
CID 58199081
2-[2-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]ethylamino]ethanol
CID 143841761

Frequently Asked Questions

What is the IUPAC name of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone (CID 58199416) is (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccc2c(c1)OC1(CCN(C3CCC3)CC1)OC2)N1CCCC1.
What is the InChIKey of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QFBANJQMZLKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-20(23-10-1-2-11-23)16-6-7-17-15-25-21(26-19(17)14-16)8-12-22(13-9-21)18-4-3-5-18/h6-7,14,18H,1-5,8-13,15H2.
What are the key properties of (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone?
(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58199416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).