4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid

C14H18N2O3 — CID 71676843

IUPAC4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
SMILESO=C(CC(C(=O)O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(11-4-2-1-3-5-11)10-12(14(18)19)16-8-6-15-7-9-16/h1-5,12,15H,6-10H2,(H,18,19)
InChIKeyZQSBQYNQUYRRAK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.62
Rot. Bonds5

About 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid

4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid (PubChem CID 71676843) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
PubChem CID71676843
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
SMILESO=C(CC(C(=O)O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(11-4-2-1-3-5-11)10-12(14(18)19)16-8-6-15-7-9-16/h1-5,12,15H,6-10H2,(H,18,19)
InChIKeyZQSBQYNQUYRRAK-UHFFFAOYSA-N
XLogP0.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
4-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 141113240
4-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylbutanoic acid;hydrate
CID 21152996
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2S)-2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 680060
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
2-[7-(1-carboxy-3-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-hydroxybutanoic acid;gadolinium
CID 175945589
1-phenyl-3-pyrrolidin-1-yl-3-sulfanylpropan-1-one
CID 175347189
(2R)-2-(4-benzylpiperazin-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 7549548
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid (CID 71676843) is 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid is O=C(CC(C(=O)O)N1CCNCC1)c1ccccc1.
What is the InChIKey of 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid?
The InChIKey is ZQSBQYNQUYRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(11-4-2-1-3-5-11)10-12(14(18)19)16-8-6-15-7-9-16/h1-5,12,15H,6-10H2,(H,18,19).
What are the key properties of 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid?
4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 71676843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).