2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid

C18H24N2O4 — CID 119177928

IUPAC2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-8-19-17(23)14-4-3-5-15(12-14)18(24)20-9-6-13(7-10-20)11-16(21)22/h3-5,12-13H,2,6-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyKXOPUFALULRHHN-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.15
Rot. Bonds6

About 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid

2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid (PubChem CID 119177928) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
PubChem CID119177928
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-8-19-17(23)14-4-3-5-15(12-14)18(24)20-9-6-13(7-10-20)11-16(21)22/h3-5,12-13H,2,6-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyKXOPUFALULRHHN-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic 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

3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid (CID 119177928) is 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid is CCCNC(=O)c1cccc(C(=O)N2CCC(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid?
The InChIKey is KXOPUFALULRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-8-19-17(23)14-4-3-5-15(12-14)18(24)20-9-6-13(7-10-20)11-16(21)22/h3-5,12-13H,2,6-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).