(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone

C21H21ClN2O2 — CID 134787985

IUPAC(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyUFZGACUVJQQHEV-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.33
Rot. Bonds3

About (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone

(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone (PubChem CID 134787985) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone
PubChem CID134787985
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2
InChIInChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyUFZGACUVJQQHEV-UHFFFAOYSA-N
XLogP4.33
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone 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

N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
CID 22405735
N-[2-(3,4-dichlorophenyl)-4-[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
CID 22861435
N-[2-(3,4-dichlorophenyl)-4-[4-(C-ethyl-N-hydroxycarbonimidoyl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 71461711
1-benzoyl-4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-heptylpiperidine-4-carboxamide
CID 24856188
N-[2-(3,4-Dichloro-phenyl)-4-(4-{1-[(E)-methoxyimino]-propyl}-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44300619
(4-Chlorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803050
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-methylbenzamide
CID 42669734
(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone
CID 134794393
(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(2-fluorophenyl)methanone
CID 134795377
(4-Chlorophenyl)(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-en-8-yl)methanone
CID 91888918
8-Benzoyl-3-(4-chlorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
CID 91888985
(4-Chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 134787788

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone (CID 134787985) is (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC(Cc1ccccc1)=NO2.
What is the InChIKey of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone?
The InChIKey is UFZGACUVJQQHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)24-12-10-21(11-13-24)15-19(23-26-21)14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone?
(3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone has a molecular weight of 368.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 134787985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).