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

C15H18Cl2N2O3 — CID 134069399

IUPAC5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-3-1-4-12(15(11)17)18-7-9-19(10-8-18)13(20)5-2-6-14(21)22/h1,3-4H,2,5-10H2,(H,21,22)
InChIKeyIBXNTHLBVLOTDN-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.90
Rot. Bonds5

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

5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 134069399) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID134069399
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c16-11-3-1-4-12(15(11)17)18-7-9-19(10-8-18)13(20)5-2-6-14(21)22/h1,3-4H,2,5-10H2,(H,21,22)
InChIKeyIBXNTHLBVLOTDN-UHFFFAOYSA-N
XLogP2.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
1-[4-(2-chlorophenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 55345739
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
CID 175603562
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029331
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid (CID 134069399) is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is IBXNTHLBVLOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-11-3-1-4-12(15(11)17)18-7-9-19(10-8-18)13(20)5-2-6-14(21)22/h1,3-4H,2,5-10H2,(H,21,22).
What are the key properties of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 345.23 g/mol, XLogP of 2.90, 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-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 134069399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).