(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C18H21FN2O2 — CID 118786071

IUPAC(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCn1c(C(=O)N2CCCC3(CCOC3)C2)cc2cc(F)ccc21
InChIInChI=1S/C18H21FN2O2/c1-20-15-4-3-14(19)9-13(15)10-16(20)17(22)21-7-2-5-18(11-21)6-8-23-12-18/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyXFAWHVFAOSQEIW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.96
Rot. Bonds1

About (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 118786071) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID118786071
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCn1c(C(=O)N2CCCC3(CCOC3)C2)cc2cc(F)ccc21
InChIInChI=1S/C18H21FN2O2/c1-20-15-4-3-14(19)9-13(15)10-16(20)17(22)21-7-2-5-18(11-21)6-8-23-12-18/h3-4,9-10H,2,5-8,11-12H2,1H3
InChIKeyXFAWHVFAOSQEIW-UHFFFAOYSA-N
XLogP2.96
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-methylindol-2-yl)-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 124961212
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
7-(cyclobutylmethyl)-2-(5-fluoro-1-methylindole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72889842
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138380566
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]indole-2-carboxamide
CID 77095932
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114269

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 118786071) is (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cn1c(C(=O)N2CCCC3(CCOC3)C2)cc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is XFAWHVFAOSQEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-20-15-4-3-14(19)9-13(15)10-16(20)17(22)21-7-2-5-18(11-21)6-8-23-12-18/h3-4,9-10H,2,5-8,11-12H2,1H3.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 316.38 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 118786071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).