4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid

C14H17ClN2O3 — CID 43659203

IUPAC4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
SMILESO=C(CN1CCCCC1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-5-4-10(14(19)20)8-12(11)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyJROBJYFAZSAVBV-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.46
Rot. Bonds4

About 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid

4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid (PubChem CID 43659203) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
PubChem CID43659203
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
SMILESO=C(CN1CCCCC1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-5-4-10(14(19)20)8-12(11)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,19,20)
InChIKeyJROBJYFAZSAVBV-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid
CID 43659200
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
4-chloro-3-[[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]benzoic acid
CID 115965515
3-(azepane-1-carbonylamino)-4-chlorobenzoic acid
CID 61188522
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
4-chloro-3-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 63219604
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid (CID 43659203) is 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid is O=C(CN1CCCCC1)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid?
The InChIKey is JROBJYFAZSAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-5-4-10(14(19)20)8-12(11)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)(H,19,20).
What are the key properties of 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid?
4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 43659203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).