3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide

C14H21N2O3+ — CID 7350254

IUPAC3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O3/c17-12-5-4-11(10-13(12)18)14(19)15-6-9-16-7-2-1-3-8-16/h4-5,10,17-18H,1-3,6-9H2,(H,15,19)/p+1
InChIKeyRXHSNWVYJLFGBU-UHFFFAOYSA-O
MW265.33 g/mol
LogP-0.10
Rot. Bonds4

About 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide

3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide (PubChem CID 7350254) has the molecular formula C14H21N2O3+ and a molecular weight of 265.33 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide
PubChem CID7350254
Molecular FormulaC14H21N2O3+
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(O)c(O)c1
InChIInChI=1S/C14H20N2O3/c17-12-5-4-11(10-13(12)18)14(19)15-6-9-16-7-2-1-3-8-16/h4-5,10,17-18H,1-3,6-9H2,(H,15,19)/p+1
InChIKeyRXHSNWVYJLFGBU-UHFFFAOYSA-O
XLogP-0.10
TPSA74.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 5235614
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
4-chloro-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
CID 9048961
2-[(4-fluorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ium-1-ylethyl)isoindole-5-carboxamide chloride
CID 69277958

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide (CID 7350254) is 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide is O=C(NCC[NH+]1CCCCC1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
The InChIKey is RXHSNWVYJLFGBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O3/c17-12-5-4-11(10-13(12)18)14(19)15-6-9-16-7-2-1-3-8-16/h4-5,10,17-18H,1-3,6-9H2,(H,15,19)/p+1.
What are the key properties of 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide?
3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide has a molecular weight of 265.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 7350254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).