1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one

C14H16FN3O — CID 84638554

IUPAC1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
SMILESCn1cc(CN2CCNCC2=O)c2cc(F)ccc21
InChIInChI=1S/C14H16FN3O/c1-17-8-10(9-18-5-4-16-7-14(18)19)12-6-11(15)2-3-13(12)17/h2-3,6,8,16H,4-5,7,9H2,1H3
InChIKeyJUDVIINNDSISKT-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.25
Rot. Bonds2

About 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one

1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one (PubChem CID 84638554) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
PubChem CID84638554
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one
SMILESCn1cc(CN2CCNCC2=O)c2cc(F)ccc21
InChIInChI=1S/C14H16FN3O/c1-17-8-10(9-18-5-4-16-7-14(18)19)12-6-11(15)2-3-13(12)17/h2-3,6,8,16H,4-5,7,9H2,1H3
InChIKeyJUDVIINNDSISKT-UHFFFAOYSA-N
XLogP1.25
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromo-1-methylindol-3-yl)ethyl]piperazin-2-one
CID 84646589
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
5-fluoro-1-methyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 117175000
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808
1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one
CID 69436836
1-[(4-fluorophenyl)methyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 171923482
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
1-[(3,5-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 105407900
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
5-fluoro-1-methyl-3-(1-piperazin-1-ylethyl)indole
CID 82279021
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one (CID 84638554) is 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one is Cn1cc(CN2CCNCC2=O)c2cc(F)ccc21.
What is the InChIKey of 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one?
The InChIKey is JUDVIINNDSISKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-17-8-10(9-18-5-4-16-7-14(18)19)12-6-11(15)2-3-13(12)17/h2-3,6,8,16H,4-5,7,9H2,1H3.
What are the key properties of 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one?
1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one has a molecular weight of 261.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-methylindol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 84638554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).