3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C21H23ClN2O — CID 134790998

IUPAC3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Cc2ccccc2)=NO3)cc1
InChIInChI=1S/C21H23ClN2O/c22-19-8-6-18(7-9-19)16-24-12-10-21(11-13-24)15-20(23-25-21)14-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyXNCLFFKIAQXWKE-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.69
Rot. Bonds4

About 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134790998) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134790998
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Cc2ccccc2)=NO3)cc1
InChIInChI=1S/C21H23ClN2O/c22-19-8-6-18(7-9-19)16-24-12-10-21(11-13-24)15-20(23-25-21)14-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyXNCLFFKIAQXWKE-UHFFFAOYSA-N
XLogP4.69
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene 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-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134794834
8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58134913
3-benzyl-9-[(1-methylpyrrol-2-yl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134795687
3-bromo-8-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58134947
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
N,N-dimethyl-4-[(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methyl]aniline
CID 134799440
4-(aminomethyl)-1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 82298989
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
(4-benzylpiperazin-1-yl)-[8-(2,5-dichlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]methanone
CID 67393191
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-benzyl-4-methylpiperidin-4-ol
CID 10845913

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134790998) is 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Clc1ccc(CN2CCC3(CC2)CC(Cc2ccccc2)=NO3)cc1.
What is the InChIKey of 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is XNCLFFKIAQXWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-19-8-6-18(7-9-19)16-24-12-10-21(11-13-24)15-20(23-25-21)14-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 354.88 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[(4-chlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).