4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

C14H18N2O2 — CID 107672292

IUPAC4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2=CCNCC2)ccc1O
InChIInChI=1S/C14H18N2O2/c1-10-8-12(2-3-13(10)17)14(18)16-9-11-4-6-15-7-5-11/h2-4,8,15,17H,5-7,9H2,1H3,(H,16,18)
InChIKeyMBYSCEUXCDXNNZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.35
Rot. Bonds3

About 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 107672292) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID107672292
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCC2=CCNCC2)ccc1O
InChIInChI=1S/C14H18N2O2/c1-10-8-12(2-3-13(10)17)14(18)16-9-11-4-6-15-7-5-11/h2-4,8,15,17H,5-7,9H2,1H3,(H,16,18)
InChIKeyMBYSCEUXCDXNNZ-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
3-bromo-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954975
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 102922374
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
4,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiophene-2-carboxamide
CID 114693690
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
methyl 3-methyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721632
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridine-3-carboxamide
CID 114693767
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 107672292) is 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is Cc1cc(C(=O)NCC2=CCNCC2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is MBYSCEUXCDXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-12(2-3-13(10)17)14(18)16-9-11-4-6-15-7-5-11/h2-4,8,15,17H,5-7,9H2,1H3,(H,16,18).
What are the key properties of 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 107672292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).