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

C14H17ClN2O3 — CID 61158830

IUPAC4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-10-1-2-11(14(19)20)12(8-10)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20)
InChIKeyOCILOIXPCJXCSB-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.37
Rot. Bonds4

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

4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid (PubChem CID 61158830) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
PubChem CID61158830
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-10-1-2-11(14(19)20)12(8-10)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20)
InChIKeyOCILOIXPCJXCSB-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61028552
N-[5-chloro-2-(dimethylamino)phenyl]-2-piperidin-4-ylacetamide
CID 61029113
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
[4-chloro-2-[(2-cyclopropylacetyl)amino]phenyl]boronic acid
CID 164645579
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 82812101
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid (CID 61158830) is 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid is O=C(CC1CCNCC1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The InChIKey is OCILOIXPCJXCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-1-2-11(14(19)20)12(8-10)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 61158830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).