2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone

C21H22FN3O — CID 110655403

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CN2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C21H22FN3O/c1-23-14-17(16-6-2-4-8-19(16)23)21(26)15-24-10-12-25(13-11-24)20-9-5-3-7-18(20)22/h2-9,14H,10-13,15H2,1H3
InChIKeyIANSLCDDNIKXHR-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655403) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
PubChem CID110655403
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CN2CCN(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C21H22FN3O/c1-23-14-17(16-6-2-4-8-19(16)23)21(26)15-24-10-12-25(13-11-24)20-9-5-3-7-18(20)22/h2-9,14H,10-13,15H2,1H3
InChIKeyIANSLCDDNIKXHR-UHFFFAOYSA-N
XLogP3.32
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
1-(1-methylindol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110655404
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 45017241
1-(1-methylindol-3-yl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21270044
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
1-(3-aminophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 82071237
(3R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93125113
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone (CID 110655403) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CN2CCN(c3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone?
The InChIKey is IANSLCDDNIKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-23-14-17(16-6-2-4-8-19(16)23)21(26)15-24-10-12-25(13-11-24)20-9-5-3-7-18(20)22/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone has a molecular weight of 351.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).