1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

C15H15F2N3O2 — CID 166203080

IUPAC1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C15H15F2N3O2/c1-9(21)19-4-6-20(7-5-19)15(22)13-8-10-12(18-13)3-2-11(16)14(10)17/h2-3,8,18H,4-7H2,1H3
InChIKeyIKXWZSGTSBWIAK-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.75
Rot. Bonds1

About 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 166203080) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID166203080
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3c(F)c(F)ccc3[nH]2)CC1
InChIInChI=1S/C15H15F2N3O2/c1-9(21)19-4-6-20(7-5-19)15(22)13-8-10-12(18-13)3-2-11(16)14(10)17/h2-3,8,18H,4-7H2,1H3
InChIKeyIKXWZSGTSBWIAK-UHFFFAOYSA-N
XLogP1.75
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 166205152
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
3-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]methyl-methylamino]cyclopropyl]benzoic acid
CID 155259970
(4,5-difluoro-1H-indol-2-yl)-[2-[(1-hydroxycyclobutyl)methylamino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 151434471
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone (CID 166203080) is 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc3c(F)c(F)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IKXWZSGTSBWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-9(21)19-4-6-20(7-5-19)15(22)13-8-10-12(18-13)3-2-11(16)14(10)17/h2-3,8,18H,4-7H2,1H3.
What are the key properties of 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 307.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166203080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).