2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

C17H18Cl2N2O4 — CID 120974959

IUPAC2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O4/c18-13-3-1-2-12(14(13)19)16(23)21-8-6-20(7-9-21)15(22)10-4-5-11(10)17(24)25/h1-3,10-11H,4-9H2,(H,24,25)
InChIKeyLZJMVVXRKZHIJK-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid

2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (PubChem CID 120974959) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
PubChem CID120974959
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC Name2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H18Cl2N2O4/c18-13-3-1-2-12(14(13)19)16(23)21-8-6-20(7-9-21)15(22)10-4-5-11(10)17(24)25/h1-3,10-11H,4-9H2,(H,24,25)
InChIKeyLZJMVVXRKZHIJK-UHFFFAOYSA-N
XLogP2.39
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
(2,3-dichlorophenyl)-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
CID 91819175
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid (CID 120974959) is 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is LZJMVVXRKZHIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c18-13-3-1-2-12(14(13)19)16(23)21-8-6-20(7-9-21)15(22)10-4-5-11(10)17(24)25/h1-3,10-11H,4-9H2,(H,24,25).
What are the key properties of 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid?
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 385.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).