4-[(1-acetylpiperidin-4-yl)amino]benzoic acid

C14H18N2O3 — CID 43774308

IUPAC4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
SMILESCC(=O)N1CCC(Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18N2O3/c1-10(17)16-8-6-13(7-9-16)15-12-4-2-11(3-5-12)14(18)19/h2-5,13,15H,6-9H2,1H3,(H,18,19)
InChIKeyHHNZNVWONGVHOW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.81
Rot. Bonds3

About 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid

4-[(1-acetylpiperidin-4-yl)amino]benzoic acid (PubChem CID 43774308) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
PubChem CID43774308
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
SMILESCC(=O)N1CCC(Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18N2O3/c1-10(17)16-8-6-13(7-9-16)15-12-4-2-11(3-5-12)14(18)19/h2-5,13,15H,6-9H2,1H3,(H,18,19)
InChIKeyHHNZNVWONGVHOW-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid
CID 121405119
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid (CID 43774308) is 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid is CC(=O)N1CCC(Nc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid?
The InChIKey is HHNZNVWONGVHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(17)16-8-6-13(7-9-16)15-12-4-2-11(3-5-12)14(18)19/h2-5,13,15H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid?
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 43774308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).