4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid

C14H18N2O3 — CID 110481821

IUPAC4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(6-7-14(18)19)16-9-8-15-10-12(16)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,19)
InChIKeyPFSASVAEHXOGQZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.02
Rot. Bonds4

About 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid

4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid (PubChem CID 110481821) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
PubChem CID110481821
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(6-7-14(18)19)16-9-8-15-10-12(16)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,19)
InChIKeyPFSASVAEHXOGQZ-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 140908351
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110109127
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
2,2-dimethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 121446464
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
CID 124954504
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid (CID 110481821) is 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid is O=C(O)CCC(=O)N1CCNCC1c1ccccc1.
What is the InChIKey of 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid?
The InChIKey is PFSASVAEHXOGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(6-7-14(18)19)16-9-8-15-10-12(16)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,18,19).
What are the key properties of 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid?
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 110481821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).