1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

C15H18FN3O — CID 98033749

IUPAC1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-11-12(10-18-15(11)13)14(20)4-7-19-8-5-17-6-9-19/h1-3,10,17-18H,4-9H2
InChIKeyWHZXHXDREPSQPC-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.78
Rot. Bonds4

About 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one

1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 98033749) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID98033749
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-11-12(10-18-15(11)13)14(20)4-7-19-8-5-17-6-9-19/h1-3,10,17-18H,4-9H2
InChIKeyWHZXHXDREPSQPC-UHFFFAOYSA-N
XLogP1.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 96679275
1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol
CID 82277631
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263022
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
2-(7-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175554398
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one (CID 98033749) is 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is O=C(CCN1CCNCC1)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is WHZXHXDREPSQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-3-1-2-11-12(10-18-15(11)13)14(20)4-7-19-8-5-17-6-9-19/h1-3,10,17-18H,4-9H2.
What are the key properties of 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one?
1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 275.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 98033749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).