4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid

C19H23N3O3S — CID 46285334

IUPAC4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid
SMILESCCCN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O3S/c1-2-7-21-8-10-22(11-9-21)16-6-5-14(19(24)25)13-15(16)20-18(23)17-4-3-12-26-17/h3-6,12-13H,2,7-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyZABRPYLWUMJIDB-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.23
Rot. Bonds6

About 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid

4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid (PubChem CID 46285334) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid
PubChem CID46285334
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid
SMILESCCCN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O3S/c1-2-7-21-8-10-22(11-9-21)16-6-5-14(19(24)25)13-15(16)20-18(23)17-4-3-12-26-17/h3-6,12-13H,2,7-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyZABRPYLWUMJIDB-UHFFFAOYSA-N
XLogP3.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoic acid
CID 20930227
ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate
CID 7328950
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
4-[butyl(ethyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052985
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
4-[bis(2-methylpropyl)amino]-3-(thiophene-2-carbonylamino)benzoic acid
CID 53052986
3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23881237
4-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(thiophene-2-carbonylamino)benzoic acid
CID 83286232
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methylbenzoyl)amino]benzoic acid
CID 46285219
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
3-[(4-methylbenzoyl)amino]-4-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoic acid
CID 46285225

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid (CID 46285334) is 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid is CCCN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2cccs2)CC1.
What is the InChIKey of 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is ZABRPYLWUMJIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-7-21-8-10-22(11-9-21)16-6-5-14(19(24)25)13-15(16)20-18(23)17-4-3-12-26-17/h3-6,12-13H,2,7-11H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid?
4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid has a molecular weight of 373.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 46285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).