3-(4-propylpiperazine-1-carbonyl)benzoic acid

C15H20N2O3 — CID 43452662

IUPAC3-(4-propylpiperazine-1-carbonyl)benzoic acid
SMILESCCCN1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-2-6-16-7-9-17(10-8-16)14(18)12-4-3-5-13(11-12)15(19)20/h3-5,11H,2,6-10H2,1H3,(H,19,20)
InChIKeyCZWSDJVKFGCSSW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-propylpiperazine-1-carbonyl)benzoic acid

3-(4-propylpiperazine-1-carbonyl)benzoic acid (PubChem CID 43452662) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-propylpiperazine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-(4-propylpiperazine-1-carbonyl)benzoic acid
PubChem CID43452662
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(4-propylpiperazine-1-carbonyl)benzoic acid
SMILESCCCN1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-2-6-16-7-9-17(10-8-16)14(18)12-4-3-5-13(11-12)15(19)20/h3-5,11H,2,6-10H2,1H3,(H,19,20)
InChIKeyCZWSDJVKFGCSSW-UHFFFAOYSA-N
XLogP1.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-propylpiperazine-1-carbonyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-propylpiperazine-1-carbonyl)benzenecarbothioamide
CID 24689662
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
CID 142843675
(3-prop-2-enoxyphenyl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131950145
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
(4-ethylpiperazin-1-yl)-[3-(2-hydroxypropan-2-yl)phenyl]methanone
CID 110486128
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazine-1-carbonyl)benzoic acid?
The IUPAC name of 3-(4-propylpiperazine-1-carbonyl)benzoic acid (CID 43452662) is 3-(4-propylpiperazine-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-(4-propylpiperazine-1-carbonyl)benzoic acid?
The canonical SMILES for 3-(4-propylpiperazine-1-carbonyl)benzoic acid is CCCN1CCN(C(=O)c2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-(4-propylpiperazine-1-carbonyl)benzoic acid?
The InChIKey is CZWSDJVKFGCSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-6-16-7-9-17(10-8-16)14(18)12-4-3-5-13(11-12)15(19)20/h3-5,11H,2,6-10H2,1H3,(H,19,20).
What are the key properties of 3-(4-propylpiperazine-1-carbonyl)benzoic acid?
3-(4-propylpiperazine-1-carbonyl)benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazine-1-carbonyl)benzoic acid is sourced from PubChem (CID 43452662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).