ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone

C17H23FN2O — CID 145286856

IUPACethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H17FN2O.C2H6/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-2/h2-3,8-9,11,17H,4-7H2,1H3;1-2H3
InChIKeyHDPMHTZCFHGSGG-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.06
Rot. Bonds1

About ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone

ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 145286856) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID145286856
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Nameethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H17FN2O.C2H6/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-2/h2-3,8-9,11,17H,4-7H2,1H3;1-2H3
InChIKeyHDPMHTZCFHGSGG-UHFFFAOYSA-N
XLogP4.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
1-[4-[6-(methylamino)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 163684604
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-3-methylpyrrolidin-2-one
CID 166249941

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 145286856) is ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone is CC.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is HDPMHTZCFHGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C2H6/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-2/h2-3,8-9,11,17H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone?
ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 290.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 145286856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).