(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide

C17H19FN4O3 — CID 125008346

IUPAC(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@H]1C(N)=O
InChIInChI=1S/C17H19FN4O3/c1-10(23)22-6-5-21(9-15(22)16(19)24)17(25)14-8-11-7-12(18)3-4-13(11)20(14)2/h3-4,7-8,15H,5-6,9H2,1-2H3,(H2,19,24)/t15-/m0/s1
InChIKeyUUJVTDJRPNWUBF-HNNXBMFYSA-N
MW346.36 g/mol
LogP0.48
Rot. Bonds2

About (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide

(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide (PubChem CID 125008346) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
PubChem CID125008346
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@H]1C(N)=O
InChIInChI=1S/C17H19FN4O3/c1-10(23)22-6-5-21(9-15(22)16(19)24)17(25)14-8-11-7-12(18)3-4-13(11)20(14)2/h3-4,7-8,15H,5-6,9H2,1-2H3,(H2,19,24)/t15-/m0/s1
InChIKeyUUJVTDJRPNWUBF-HNNXBMFYSA-N
XLogP0.48
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086615
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 124982107
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
1-[4-(6-fluoro-1-methylindole-2-carbonyl)piperazin-1-yl]ethanone
CID 110850299
(5-fluoro-1-methylindol-2-yl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
CID 138380566
4-(5-fluoro-1-methylindole-2-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 110094849
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 92625186
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide (CID 125008346) is (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3n2C)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is UUJVTDJRPNWUBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-10(23)22-6-5-21(9-15(22)16(19)24)17(25)14-8-11-7-12(18)3-4-13(11)20(14)2/h3-4,7-8,15H,5-6,9H2,1-2H3,(H2,19,24)/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide?
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 125008346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).