3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C17H27N3O — CID 114516650

IUPAC3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCC2CCN(C)CC2)cc1C
InChIInChI=1S/C17H27N3O/c1-13-12-15(4-5-16(13)18-2)17(21)19-9-6-14-7-10-20(3)11-8-14/h4-5,12,14,18H,6-11H2,1-3H3,(H,19,21)
InChIKeyFYZVOILUTHQVGH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds5

About 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 114516650) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID114516650
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCC2CCN(C)CC2)cc1C
InChIInChI=1S/C17H27N3O/c1-13-12-15(4-5-16(13)18-2)17(21)19-9-6-14-7-10-20(3)11-8-14/h4-5,12,14,18H,6-11H2,1-3H3,(H,19,21)
InChIKeyFYZVOILUTHQVGH-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971355
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 114516650) is 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CNc1ccc(C(=O)NCCC2CCN(C)CC2)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is FYZVOILUTHQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-12-15(4-5-16(13)18-2)17(21)19-9-6-14-7-10-20(3)11-8-14/h4-5,12,14,18H,6-11H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 114516650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).