5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid

C15H18N2O5 — CID 108804438

IUPAC5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H18N2O5/c1-9(18)17-6-4-10(5-7-17)14(20)16-11-2-3-13(19)12(8-11)15(21)22/h2-3,8,10,19H,4-7H2,1H3,(H,16,20)(H,21,22)
InChIKeyZWCFEWJUHCGMLX-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.29
Rot. Bonds3

About 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid

5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 108804438) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID108804438
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H18N2O5/c1-9(18)17-6-4-10(5-7-17)14(20)16-11-2-3-13(19)12(8-11)15(21)22/h2-3,8,10,19H,4-7H2,1H3,(H,16,20)(H,21,22)
InChIKeyZWCFEWJUHCGMLX-UHFFFAOYSA-N
XLogP1.29
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824292
5-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid
CID 22781481
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid (CID 108804438) is 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid is CC(=O)N1CCC(C(=O)Nc2ccc(O)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is ZWCFEWJUHCGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9(18)17-6-4-10(5-7-17)14(20)16-11-2-3-13(19)12(8-11)15(21)22/h2-3,8,10,19H,4-7H2,1H3,(H,16,20)(H,21,22).
What are the key properties of 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid?
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 306.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 108804438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).