4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid

C14H17ClN2O4 — CID 60702556

IUPAC4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC(O)C1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-11-4-3-9(14(20)21)6-12(11)16-13(19)8-17-5-1-2-10(18)7-17/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)(H,20,21)
InChIKeyOPAFLWJHDVLMTB-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.43
Rot. Bonds4

About 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid

4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 60702556) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
PubChem CID60702556
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCC(O)C1)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-11-4-3-9(14(20)21)6-12(11)16-13(19)8-17-5-1-2-10(18)7-17/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)(H,20,21)
InChIKeyOPAFLWJHDVLMTB-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 43659203
4-chloro-3-[[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]benzoic acid
CID 115965515
4-chloro-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid
CID 43659200
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877774
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 171691231
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid (CID 60702556) is 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid is O=C(CN1CCCC(O)C1)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is OPAFLWJHDVLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-11-4-3-9(14(20)21)6-12(11)16-13(19)8-17-5-1-2-10(18)7-17/h3-4,6,10,18H,1-2,5,7-8H2,(H,16,19)(H,20,21).
What are the key properties of 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid?
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 312.75 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 60702556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).