4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C18H28N2O2 — CID 155022118

IUPAC4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-6-13(12-16(15)22-5)17(21)19-14-8-10-20(4)11-9-14/h6-7,12,14H,8-11H2,1-5H3,(H,19,21)
InChIKeyAPAOILBCHJXPJN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds3

About 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 155022118) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID155022118
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-7-6-13(12-16(15)22-5)17(21)19-14-8-10-20(4)11-9-14/h6-7,12,14H,8-11H2,1-5H3,(H,19,21)
InChIKeyAPAOILBCHJXPJN-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 155022118) is 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is COc1cc(C(=O)NC2CCN(C)CC2)ccc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is APAOILBCHJXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-7-6-13(12-16(15)22-5)17(21)19-14-8-10-20(4)11-9-14/h6-7,12,14H,8-11H2,1-5H3,(H,19,21).
What are the key properties of 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 155022118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).