1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone

C16H20N2O2 — CID 134790728

IUPAC1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
SMILESCC1=NOC2(CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C16H20N2O2/c1-13-11-16(20-17-13)8-5-9-18(12-16)15(19)10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3
InChIKeyDNJGTWZQMCBOQG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone

1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone (PubChem CID 134790728) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
PubChem CID134790728
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
SMILESCC1=NOC2(CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C16H20N2O2/c1-13-11-16(20-17-13)8-5-9-18(12-16)15(19)10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3
InChIKeyDNJGTWZQMCBOQG-UHFFFAOYSA-N
XLogP2.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone 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

1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
9-[2-(4-methylphenyl)acetyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131651426
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
9-[2-[methyl(propan-2-yl)amino]acetyl]-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691424
(2S)-1'-[2-(4-methylphenyl)acetyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 51585751
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259
9-[2-(4-fluorophenyl)acetyl]-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155838652
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone?
The IUPAC name of 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone (CID 134790728) is 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone?
The canonical SMILES for 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone is CC1=NOC2(CCCN(C(=O)Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone?
The InChIKey is DNJGTWZQMCBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-11-16(20-17-13)8-5-9-18(12-16)15(19)10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone?
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone has a molecular weight of 272.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone is sourced from PubChem (CID 134790728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).