2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone

C15H18FN3O — CID 95432808

IUPAC2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1cc(CC(=O)N2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C15H18FN3O/c1-18-10-11(13-3-2-12(16)9-14(13)18)8-15(20)19-6-4-17-5-7-19/h2-3,9-10,17H,4-8H2,1H3
InChIKeyBDMVPTRYNKUQCJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.29
Rot. Bonds2

About 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone

2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 95432808) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
PubChem CID95432808
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1cc(CC(=O)N2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C15H18FN3O/c1-18-10-11(13-3-2-12(16)9-14(13)18)8-15(20)19-6-4-17-5-7-19/h2-3,9-10,17H,4-8H2,1H3
InChIKeyBDMVPTRYNKUQCJ-UHFFFAOYSA-N
XLogP1.29
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
2-(2,5-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119401623
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 82147365
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
CID 84638554
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone (CID 95432808) is 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone is Cn1cc(CC(=O)N2CCNCC2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is BDMVPTRYNKUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18-10-11(13-3-2-12(16)9-14(13)18)8-15(20)19-6-4-17-5-7-19/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone?
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 275.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 95432808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).