2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C19H22FN3O3 — CID 172548059

IUPAC2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H22FN3O3/c20-14-3-4-15-13(12-21-16(15)11-14)10-18(24)22-5-7-23(8-6-22)19(25)17-2-1-9-26-17/h3-4,11-12,17,21H,1-2,5-10H2
InChIKeyCUMTWNNCYXEFMM-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.70
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 172548059) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID172548059
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C19H22FN3O3/c20-14-3-4-15-13(12-21-16(15)11-14)10-18(24)22-5-7-23(8-6-22)19(25)17-2-1-9-26-17/h3-4,11-12,17,21H,1-2,5-10H2
InChIKeyCUMTWNNCYXEFMM-UHFFFAOYSA-N
XLogP1.70
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801270
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
CID 123386544
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 124705169
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110801256
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 86878648
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110807200

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 172548059) is 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1c[nH]c2cc(F)ccc12)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CUMTWNNCYXEFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-14-3-4-15-13(12-21-16(15)11-14)10-18(24)22-5-7-23(8-6-22)19(25)17-2-1-9-26-17/h3-4,11-12,17,21H,1-2,5-10H2.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 359.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 172548059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).