(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H22N2O3 — CID 110853525

IUPAC(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2C
InChIInChI=1S/C18H22N2O3/c1-13-3-4-15-14(11-13)12-16(19(15)2)17(21)20-7-5-18(6-8-20)22-9-10-23-18/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKAAONXVEHCEKOH-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.47
Rot. Bonds1

About (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110853525) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110853525
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2C
InChIInChI=1S/C18H22N2O3/c1-13-3-4-15-14(11-13)12-16(19(15)2)17(21)20-7-5-18(6-8-20)22-9-10-23-18/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKAAONXVEHCEKOH-UHFFFAOYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyl-5-piperidin-1-ylsulfonylindol-2-yl)methanone
CID 22579699
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
(2R)-4-(1,5-dimethylindole-2-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632573
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632990
[4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246401
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7-methylisochromen-1-one
CID 175651687
(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134706914

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110853525) is (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1ccc2c(c1)cc(C(=O)N1CCC3(CC1)OCCO3)n2C.
What is the InChIKey of (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is KAAONXVEHCEKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-3-4-15-14(11-13)12-16(19(15)2)17(21)20-7-5-18(6-8-20)22-9-10-23-18/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110853525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).