3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid

C14H16Cl2N2O3 — CID 82812101

IUPAC3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-6-9(14(20)21)7-11(16)13(10)18-12(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19)(H,20,21)
InChIKeyQXVQMFQAWGGQJB-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.02
Rot. Bonds4

About 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid

3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid (PubChem CID 82812101) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
PubChem CID82812101
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-6-9(14(20)21)7-11(16)13(10)18-12(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19)(H,20,21)
InChIKeyQXVQMFQAWGGQJB-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 82830786
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
N-(6-chloro-1,3-benzodioxol-5-yl)-2-piperidin-4-ylacetamide
CID 61029942
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid (CID 82812101) is 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid is O=C(CC1CCNCC1)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The InChIKey is QXVQMFQAWGGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-6-9(14(20)21)7-11(16)13(10)18-12(19)5-8-1-3-17-4-2-8/h6-8,17H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid has a molecular weight of 331.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 82812101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).