4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid

C19H17ClN2O4 — CID 2050566

IUPAC4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H17ClN2O4/c20-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyFXBDMMQWJNAOMO-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.64
Rot. Bonds3

About 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid

4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 2050566) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
PubChem CID2050566
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H17ClN2O4/c20-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyFXBDMMQWJNAOMO-UHFFFAOYSA-N
XLogP2.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
(4-chlorophenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108534125
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid (CID 2050566) is 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is FXBDMMQWJNAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)19(25)26/h1-8H,9-12H2,(H,25,26).
What are the key properties of 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 372.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 2050566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).