4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid

C18H24N2O4 — CID 119182756

IUPAC4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
SMILESCC(=O)N(C)C1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C18H24N2O4/c1-13(21)19(2)16-9-11-20(12-10-16)17(22)8-5-14-3-6-15(7-4-14)18(23)24/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,23,24)
InChIKeyQLOHTDIIKGSZDE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.79
Rot. Bonds5

About 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid

4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid (PubChem CID 119182756) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
PubChem CID119182756
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
SMILESCC(=O)N(C)C1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C18H24N2O4/c1-13(21)19(2)16-9-11-20(12-10-16)17(22)8-5-14-3-6-15(7-4-14)18(23)24/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,23,24)
InChIKeyQLOHTDIIKGSZDE-UHFFFAOYSA-N
XLogP1.79
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]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

1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
4-[3-[4-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119184332
4-[3-(3,3-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185589
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43416045
4-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 82071036
4-[3-[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridin-6-yl]-3-oxopropyl]benzoic acid
CID 154868443
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
4-[3-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-3-oxopropyl]benzoic acid
CID 97324003

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid (CID 119182756) is 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid is CC(=O)N(C)C1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid?
The InChIKey is QLOHTDIIKGSZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(21)19(2)16-9-11-20(12-10-16)17(22)8-5-14-3-6-15(7-4-14)18(23)24/h3-4,6-7,16H,5,8-12H2,1-2H3,(H,23,24).
What are the key properties of 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid?
4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 119182756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).