indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C17H20N2O3 — CID 71984117

IUPACindolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3cc4ccccn4c3)CC2)O1
InChIInChI=1S/C17H20N2O3/c1-13-12-21-17(22-13)5-8-18(9-6-17)16(20)14-10-15-4-2-3-7-19(15)11-14/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3
InChIKeySMFZTYSOWQTWJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.31
Rot. Bonds1

About indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 71984117) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Nameindolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID71984117
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameindolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC1COC2(CCN(C(=O)c3cc4ccccn4c3)CC2)O1
InChIInChI=1S/C17H20N2O3/c1-13-12-21-17(22-13)5-8-18(9-6-17)16(20)14-10-15-4-2-3-7-19(15)11-14/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3
InChIKeySMFZTYSOWQTWJA-UHFFFAOYSA-N
XLogP2.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butylpyrazol-4-yl)-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 95981076
1-benzyl-3-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridin-2-one
CID 71874880
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 154798734
indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
CID 75477133
indolizin-2-yl-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124594675
indolizin-2-yl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342479
3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 95633023
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887543
6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927663
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56793979
indolizin-2-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128971284
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97099037

Frequently Asked Questions

What is the IUPAC name of indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 71984117) is indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CC1COC2(CCN(C(=O)c3cc4ccccn4c3)CC2)O1.
What is the InChIKey of indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SMFZTYSOWQTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-12-21-17(22-13)5-8-18(9-6-17)16(20)14-10-15-4-2-3-7-19(15)11-14/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3.
What are the key properties of indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolizin-2-yl-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 71984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).