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

C22H22F2N2O2 — CID 110421472

IUPAC1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22F2N2O2/c23-17-7-5-16(6-8-17)20(27)15-25-11-13-26(14-12-25)21(28)22(9-10-22)18-3-1-2-4-19(18)24/h1-8H,9-15H2
InChIKeyHPOOGFUIUIBVOU-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.02
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 110421472) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID110421472
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H22F2N2O2/c23-17-7-5-16(6-8-17)20(27)15-25-11-13-26(14-12-25)21(28)22(9-10-22)18-3-1-2-4-19(18)24/h1-8H,9-15H2
InChIKeyHPOOGFUIUIBVOU-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358987
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 110421382
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 110421472) is 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is HPOOGFUIUIBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c23-17-7-5-16(6-8-17)20(27)15-25-11-13-26(14-12-25)21(28)22(9-10-22)18-3-1-2-4-19(18)24/h1-8H,9-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 384.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110421472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).