3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

C17H24N2O4 — CID 5171909

IUPAC3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12-5-4-8-19(11-12)16(20)10-18-17(21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyVSXRYUDTFMVIBH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds5

About 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 5171909) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID5171909
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-12-5-4-8-19(11-12)16(20)10-18-17(21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,21)
InChIKeyVSXRYUDTFMVIBH-UHFFFAOYSA-N
XLogP1.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 5171909) is 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)N2CCCC(C)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is VSXRYUDTFMVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-5-4-8-19(11-12)16(20)10-18-17(21)13-6-7-14(22-2)15(9-13)23-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,18,21).
What are the key properties of 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 5171909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).