5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid

C21H24N2O4 — CID 2051581

IUPAC5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O4/c24-20(7-4-8-21(25)26)23-15-13-22(14-16-23)17-9-11-19(12-10-17)27-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-16H2,(H,25,26)
InChIKeyHULGOTZHQYDQJK-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.38
Rot. Bonds7

About 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid

5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid (PubChem CID 2051581) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
PubChem CID2051581
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O4/c24-20(7-4-8-21(25)26)23-15-13-22(14-16-23)17-9-11-19(12-10-17)27-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-16H2,(H,25,26)
InChIKeyHULGOTZHQYDQJK-UHFFFAOYSA-N
XLogP3.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741032
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
9-oxo-9-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]nonanoic acid
CID 71523643
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
1-(4-phenylpiperazin-1-yl)hex-5-yn-1-one
CID 138529966
sodium 3-[4-(4-phenoxyphenyl)piperazin-1-yl]propanoate
CID 58902527

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid (CID 2051581) is 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid?
The InChIKey is HULGOTZHQYDQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(7-4-8-21(25)26)23-15-13-22(14-16-23)17-9-11-19(12-10-17)27-18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-16H2,(H,25,26).
What are the key properties of 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid?
5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 2051581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).