2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C18H25ClFN3O2 — CID 119306855

IUPAC2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-6-2-1-5-14(15)13-17(23)21-9-11-22(12-10-21)18(24)16-7-3-4-8-20-16;/h1-2,5-6,16,20H,3-4,7-13H2;1H
InChIKeyVCZXGKQLHCYRHZ-UHFFFAOYSA-N
MW369.87 g/mol
LogP1.60
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119306855) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119306855
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-6-2-1-5-14(15)13-17(23)21-9-11-22(12-10-21)18(24)16-7-3-4-8-20-16;/h1-2,5-6,16,20H,3-4,7-13H2;1H
InChIKeyVCZXGKQLHCYRHZ-UHFFFAOYSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 102560004
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119302923

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119306855) is 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1F)N1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is VCZXGKQLHCYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2.ClH/c19-15-6-2-1-5-14(15)13-17(23)21-9-11-22(12-10-21)18(24)16-7-3-4-8-20-16;/h1-2,5-6,16,20H,3-4,7-13H2;1H.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119306855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).