1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone

C16H18FN3O2 — CID 110850299

IUPAC1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1
InChIInChI=1S/C16H18FN3O2/c1-11(21)19-5-7-20(8-6-19)16(22)15-9-12-3-4-13(17)10-14(12)18(15)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyYCMRXNXVULNLRP-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.62
Rot. Bonds1

About 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110850299) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID110850299
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1
InChIInChI=1S/C16H18FN3O2/c1-11(21)19-5-7-20(8-6-19)16(22)15-9-12-3-4-13(17)10-14(12)18(15)2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyYCMRXNXVULNLRP-UHFFFAOYSA-N
XLogP1.62
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-1-methylindol-2-yl)methanone
CID 110853540
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-fluoro-1-methylindol-2-yl)methanone
CID 67170382
(2R)-N-[(1S)-1-cyclohexyl-2-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 158032320
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 110086619
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124994773
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124982107
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone (CID 110850299) is 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc3ccc(F)cc3n2C)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YCMRXNXVULNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11(21)19-5-7-20(8-6-19)16(22)15-9-12-3-4-13(17)10-14(12)18(15)2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 303.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).