5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid

C17H24N2O3 — CID 753038

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2)c1C
InChIInChI=1S/C17H24N2O3/c1-13-5-3-6-15(14(13)2)18-9-11-19(12-10-18)16(20)7-4-8-17(21)22/h3,5-6H,4,7-12H2,1-2H3,(H,21,22)
InChIKeyLHGPPPOOEOQUFI-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.21
Rot. Bonds5

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 753038) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID753038
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2)c1C
InChIInChI=1S/C17H24N2O3/c1-13-5-3-6-15(14(13)2)18-9-11-19(12-10-18)16(20)7-4-8-17(21)22/h3,5-6H,4,7-12H2,1-2H3,(H,21,22)
InChIKeyLHGPPPOOEOQUFI-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid (CID 753038) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid is Cc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is LHGPPPOOEOQUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-5-3-6-15(14(13)2)18-9-11-19(12-10-18)16(20)7-4-8-17(21)22/h3,5-6H,4,7-12H2,1-2H3,(H,21,22).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 753038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).