1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione

C22H25FN2O3 — CID 120737260

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-19-10-8-16(9-11-19)21(26)6-3-7-22(27)25-13-12-24-15-20(25)17-4-2-5-18(23)14-17/h2,4-5,8-11,14,20,24H,3,6-7,12-13,15H2,1H3
InChIKeyDUGWGUAKRWZIAX-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.36
Rot. Bonds7

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione

1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione (PubChem CID 120737260) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
PubChem CID120737260
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C22H25FN2O3/c1-28-19-10-8-16(9-11-19)21(26)6-3-7-22(27)25-13-12-24-15-20(25)17-4-2-5-18(23)14-17/h2,4-5,8-11,14,20,24H,3,6-7,12-13,15H2,1H3
InChIKeyDUGWGUAKRWZIAX-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
4-(3-acetylphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one
CID 120737240
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 120736864
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
4-fluoro-N-[3-[2-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 120737596
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 120737378
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione (CID 120737260) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione is COc1ccc(C(=O)CCCC(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The InChIKey is DUGWGUAKRWZIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-28-19-10-8-16(9-11-19)21(26)6-3-7-22(27)25-13-12-24-15-20(25)17-4-2-5-18(23)14-17/h2,4-5,8-11,14,20,24H,3,6-7,12-13,15H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione has a molecular weight of 384.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 120737260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).