1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

C19H26N2O4 — CID 131693487

IUPAC1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESCc1ccoc1C(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1
InChIInChI=1S/C19H26N2O4/c1-14-6-9-24-17(14)18(23)21-12-19(13-21)7-5-15(11-25-19)10-20-8-3-2-4-16(20)22/h6,9,15H,2-5,7-8,10-13H2,1H3
InChIKeyPXYYWRSWAFMSLI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.22
Rot. Bonds3

About 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (PubChem CID 131693487) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
PubChem CID131693487
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESCc1ccoc1C(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1
InChIInChI=1S/C19H26N2O4/c1-14-6-9-24-17(14)18(23)21-12-19(13-21)7-5-15(11-25-19)10-20-8-3-2-4-16(20)22/h6,9,15H,2-5,7-8,10-13H2,1H3
InChIKeyPXYYWRSWAFMSLI-UHFFFAOYSA-N
XLogP2.22
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one 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 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (CID 131693487) is 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is Cc1ccoc1C(=O)N1CC2(CCC(CN3CCCCC3=O)CO2)C1.
What is the InChIKey of 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The InChIKey is PXYYWRSWAFMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-6-9-24-17(14)18(23)21-12-19(13-21)7-5-15(11-25-19)10-20-8-3-2-4-16(20)22/h6,9,15H,2-5,7-8,10-13H2,1H3.
What are the key properties of 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is sourced from PubChem (CID 131693487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).