4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide

C18H21FN2O2 — CID 136565891

IUPAC4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC2(CCC2)O1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H21FN2O2/c19-14-5-1-6-15-16(14)13(11-20-15)17(22)21-10-12-4-2-7-18(23-12)8-3-9-18/h1,5-6,11-12,20H,2-4,7-10H2,(H,21,22)
InChIKeyNEJKNJUUEAOTOL-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.53
Rot. Bonds3

About 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide

4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 136565891) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
PubChem CID136565891
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC2(CCC2)O1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C18H21FN2O2/c19-14-5-1-6-15-16(14)13(11-20-15)17(22)21-10-12-4-2-7-18(23-12)8-3-9-18/h1,5-6,11-12,20H,2-4,7-10H2,(H,21,22)
InChIKeyNEJKNJUUEAOTOL-UHFFFAOYSA-N
XLogP3.53
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
CID 167919642
4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 160755750
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155861602
(4-fluoro-1H-indol-3-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 82792647
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
CID 167754057

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide (CID 136565891) is 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide is O=C(NCC1CCCC2(CCC2)O1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is NEJKNJUUEAOTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-14-5-1-6-15-16(14)13(11-20-15)17(22)21-10-12-4-2-7-18(23-12)8-3-9-18/h1,5-6,11-12,20H,2-4,7-10H2,(H,21,22).
What are the key properties of 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide?
4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 136565891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).