4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde

C15H16FN3O2 — CID 29129372

IUPAC4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1
InChIInChI=1S/C15H16FN3O2/c16-13-2-1-12-3-4-19(14(12)9-13)10-15(21)18-7-5-17(11-20)6-8-18/h1-4,9,11H,5-8,10H2
InChIKeySOIAYXKGVXLLSJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.08
Rot. Bonds3

About 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde

4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 29129372) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID29129372
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1
InChIInChI=1S/C15H16FN3O2/c16-13-2-1-12-3-4-19(14(12)9-13)10-15(21)18-7-5-17(11-20)6-8-18/h1-4,9,11H,5-8,10H2
InChIKeySOIAYXKGVXLLSJ-UHFFFAOYSA-N
XLogP1.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(6-fluoroindol-1-yl)ethanone
CID 71678979
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde (CID 29129372) is 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1.
What is the InChIKey of 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is SOIAYXKGVXLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-2-1-12-3-4-19(14(12)9-13)10-15(21)18-7-5-17(11-20)6-8-18/h1-4,9,11H,5-8,10H2.
What are the key properties of 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 289.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 29129372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).