1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid

C15H18N2O3 — CID 117438285

IUPAC1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C1CNCCN1c1cccc(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H18N2O3/c18-13-10-16-7-8-17(13)12-4-1-3-11(9-12)15(14(19)20)5-2-6-15/h1,3-4,9,16H,2,5-8,10H2,(H,19,20)
InChIKeyFAPCMRFJVCRTAK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds3

About 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid

1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117438285) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117438285
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C1CNCCN1c1cccc(C2(C(=O)O)CCC2)c1
InChIInChI=1S/C15H18N2O3/c18-13-10-16-7-8-17(13)12-4-1-3-11(9-12)15(14(19)20)5-2-6-15/h1,3-4,9,16H,2,5-8,10H2,(H,19,20)
InChIKeyFAPCMRFJVCRTAK-UHFFFAOYSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminocyclopropyl)phenyl]piperazin-2-one
CID 84794590
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117487167
1-[3-(3-oxopyrazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117404697
1-phenyl-1,4-diazepan-2-one
CID 69457460
2-[3-(2-oxopiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518984
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117399453
1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
CID 117438752
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117438285) is 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid is O=C1CNCCN1c1cccc(C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is FAPCMRFJVCRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13-10-16-7-8-17(13)12-4-1-3-11(9-12)15(14(19)20)5-2-6-15/h1,3-4,9,16H,2,5-8,10H2,(H,19,20).
What are the key properties of 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117438285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).