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

C17H27N3O — CID 104547292

IUPACN-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCNCCc1ccccc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C17H27N3O/c1-18-11-8-14-6-4-5-7-16(14)17(21)20(3)15-9-12-19(2)13-10-15/h4-7,15,18H,8-13H2,1-3H3
InChIKeyXAIXALZTXNGRHE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.61
Rot. Bonds5

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

N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 104547292) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID104547292
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCNCCc1ccccc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C17H27N3O/c1-18-11-8-14-6-4-5-7-16(14)17(21)20(3)15-9-12-19(2)13-10-15/h4-7,15,18H,8-13H2,1-3H3
InChIKeyXAIXALZTXNGRHE-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 104547292) is N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide is CNCCc1ccccc1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is XAIXALZTXNGRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-11-8-14-6-4-5-7-16(14)17(21)20(3)15-9-12-19(2)13-10-15/h4-7,15,18H,8-13H2,1-3H3.
What are the key properties of N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide?
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 104547292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).