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

C16H20N2O2 — CID 134800258

IUPAC(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone
SMILESCC1=NOC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1
InChIInChI=1S/C16H20N2O2/c1-12-3-5-14(6-4-12)15(19)18-9-7-16(8-10-18)11-13(2)17-20-16/h3-6H,7-11H2,1-2H3
InChIKeyKVCJQHUOPNLOLD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds1

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

(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone (PubChem CID 134800258) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone
PubChem CID134800258
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone
SMILESCC1=NOC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1
InChIInChI=1S/C16H20N2O2/c1-12-3-5-14(6-4-12)15(19)18-9-7-16(8-10-18)11-13(2)17-20-16/h3-6H,7-11H2,1-2H3
InChIKeyKVCJQHUOPNLOLD-UHFFFAOYSA-N
XLogP2.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone (CID 134800258) is (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone is CC1=NOC2(CCN(C(=O)c3ccc(C)cc3)CC2)C1.
What is the InChIKey of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone?
The InChIKey is KVCJQHUOPNLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-3-5-14(6-4-12)15(19)18-9-7-16(8-10-18)11-13(2)17-20-16/h3-6H,7-11H2,1-2H3.
What are the key properties of (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone?
(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 134800258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).