4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid

C21H24N2O3 — CID 74239784

IUPAC4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(18-6-8-19(9-7-18)21(25)26)22-12-15-23-13-10-17(11-14-23)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,22,24)(H,25,26)
InChIKeyDBHIHUIARQSMIG-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.99
Rot. Bonds6

About 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid

4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid (PubChem CID 74239784) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
PubChem CID74239784
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(18-6-8-19(9-7-18)21(25)26)22-12-15-23-13-10-17(11-14-23)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,22,24)(H,25,26)
InChIKeyDBHIHUIARQSMIG-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]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-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 74248989
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid (CID 74239784) is 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid?
The InChIKey is DBHIHUIARQSMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(18-6-8-19(9-7-18)21(25)26)22-12-15-23-13-10-17(11-14-23)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,22,24)(H,25,26).
What are the key properties of 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid?
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid has a molecular weight of 352.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 74239784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).