4-(3-acetamidopiperidine-1-carbonyl)benzoic acid

C15H18N2O4 — CID 126774407

IUPAC4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)16-13-3-2-8-17(9-13)14(19)11-4-6-12(7-5-11)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyBPJXVJGWENNPTJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.13
Rot. Bonds3

About 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid

4-(3-acetamidopiperidine-1-carbonyl)benzoic acid (PubChem CID 126774407) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
PubChem CID126774407
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)16-13-3-2-8-17(9-13)14(19)11-4-6-12(7-5-11)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyBPJXVJGWENNPTJ-UHFFFAOYSA-N
XLogP1.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
CID 95290096
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109
N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid (CID 126774407) is 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid is CC(=O)NC1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid?
The InChIKey is BPJXVJGWENNPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)16-13-3-2-8-17(9-13)14(19)11-4-6-12(7-5-11)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid?
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidopiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 126774407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).