3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H20N2O3 — CID 103955316

IUPAC3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-15-7-5-11(6-8-15)16(2)14(19)10-3-4-12(17)13(18)9-10/h3-4,9,11,17-18H,5-8H2,1-2H3
InChIKeyCEAGORWZEPRIGW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds2

About 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 103955316) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID103955316
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-15-7-5-11(6-8-15)16(2)14(19)10-3-4-12(17)13(18)9-10/h3-4,9,11,17-18H,5-8H2,1-2H3
InChIKeyCEAGORWZEPRIGW-UHFFFAOYSA-N
XLogP1.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
4-hydroxy-3-[2-[[2-hydroxy-5-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]methylideneamino]ethyliminomethyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;iron(3+)
CID 135952370
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
N-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yloxybenzamide
CID 170788099
2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116082

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 103955316) is 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(O)c(O)c2)CC1.
What is the InChIKey of 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is CEAGORWZEPRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-7-5-11(6-8-15)16(2)14(19)10-3-4-12(17)13(18)9-10/h3-4,9,11,17-18H,5-8H2,1-2H3.
What are the key properties of 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 103955316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).