N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide

C15H20N2O3 — CID 47114518

IUPACN-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C)cc2O)CC1
InChIInChI=1S/C15H20N2O3/c1-10-3-4-13(14(19)9-10)15(20)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,19H,5-8H2,1-2H3,(H,16,20)
InChIKeyZQGQRZRRINRDQB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.44
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide

N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 47114518) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
PubChem CID47114518
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(C)cc2O)CC1
InChIInChI=1S/C15H20N2O3/c1-10-3-4-13(14(19)9-10)15(20)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,19H,5-8H2,1-2H3,(H,16,20)
InChIKeyZQGQRZRRINRDQB-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
N-(1-acetylpiperidin-4-yl)-3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 48691250
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
CID 47070929
N-(1,1-dioxothian-3-yl)-2-hydroxy-4-methylbenzamide
CID 63921974
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide (CID 47114518) is N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide is CC(=O)N1CCC(NC(=O)c2ccc(C)cc2O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is ZQGQRZRRINRDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-4-13(14(19)9-10)15(20)16-12-5-7-17(8-6-12)11(2)18/h3-4,9,12,19H,5-8H2,1-2H3,(H,16,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide?
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 47114518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).