2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide

C17H27N3O2 — CID 120576854

IUPAC2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C17H27N3O2/c1-13-15(8-6-10-18-13)19-17(21)14-7-4-5-9-16(14)22-12-11-20(2)3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyIJGZYPXAYLOLQB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.50
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide

2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120576854) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120576854
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C17H27N3O2/c1-13-15(8-6-10-18-13)19-17(21)14-7-4-5-9-16(14)22-12-11-20(2)3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3,(H,19,21)
InChIKeyIJGZYPXAYLOLQB-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide (CID 120576854) is 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1ccccc1OCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is IJGZYPXAYLOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-15(8-6-10-18-13)19-17(21)14-7-4-5-9-16(14)22-12-11-20(2)3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide?
2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120576854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).