1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

C16H18FN3O2 — CID 110850307

IUPAC1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(C)[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C16H18FN3O2/c1-10-14(15-12(17)4-3-5-13(15)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3
InChIKeyCLVOUFGWYMXANM-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.92
Rot. Bonds1

About 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110850307) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110850307
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2c(C)[nH]c3cccc(F)c23)CC1
InChIInChI=1S/C16H18FN3O2/c1-10-14(15-12(17)4-3-5-13(15)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3
InChIKeyCLVOUFGWYMXANM-UHFFFAOYSA-N
XLogP1.92
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110852347
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802927
1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17414454
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone (CID 110850307) is 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2c(C)[nH]c3cccc(F)c23)CC1.
What is the InChIKey of 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CLVOUFGWYMXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-14(15-12(17)4-3-5-13(15)18-10)16(22)20-8-6-19(7-9-20)11(2)21/h3-5,18H,6-9H2,1-2H3.
What are the key properties of 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 303.34 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110850307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).