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

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Related Compounds

1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693400
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693247
1-[[2-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693079
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692904
1-[[(6S)-8-(3-methylfuran-2-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462889
(3-methylfuran-2-yl)-[(5R,7S)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97475314
(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477333
1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 124806557
[4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131641705
3-[7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
CID 131692689
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512

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).