4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid

C23H26N2O4 — CID 119183312

IUPAC4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
SMILESCCCN(C(=O)c1ccc(C(=O)O)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O4/c1-2-14-25(22(27)18-8-10-19(11-9-18)23(28)29)20-12-15-24(16-13-20)21(26)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3,(H,28,29)
InChIKeyAKMRPTSICVUXHD-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.54
Rot. Bonds6

About 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid

4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid (PubChem CID 119183312) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
PubChem CID119183312
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
SMILESCCCN(C(=O)c1ccc(C(=O)O)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O4/c1-2-14-25(22(27)18-8-10-19(11-9-18)23(28)29)20-12-15-24(16-13-20)21(26)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3,(H,28,29)
InChIKeyAKMRPTSICVUXHD-UHFFFAOYSA-N
XLogP3.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]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

N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
CID 136519865
[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
CID 75472621
N-(1-benzoylpiperidin-4-yl)-N-propylmorpholine-2-carboxamide
CID 119762655
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
N-[2-(1-benzoylpiperidin-4-yl)ethyl]pentanamide
CID 46379006
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(1-benzoylpiperidin-4-yl)-N-propylprop-2-enamide
CID 56523077

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid?
The IUPAC name of 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid (CID 119183312) is 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid is CCCN(C(=O)c1ccc(C(=O)O)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid?
The InChIKey is AKMRPTSICVUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-14-25(22(27)18-8-10-19(11-9-18)23(28)29)20-12-15-24(16-13-20)21(26)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3,(H,28,29).
What are the key properties of 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid?
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid has a molecular weight of 394.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid is sourced from PubChem (CID 119183312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).