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

C19H28N2O4 — CID 2097235

IUPAC3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-24-16-7-6-15(12-17(16)25-5-2)19(23)20-13-18(22)21-10-8-14(3)9-11-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyMAZHOWVGBOYUMN-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.47
Rot. Bonds7

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

3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 2097235) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID2097235
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-24-16-7-6-15(12-17(16)25-5-2)19(23)20-13-18(22)21-10-8-14(3)9-11-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyMAZHOWVGBOYUMN-UHFFFAOYSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Itopride
CID 3792
Trimethobenzamide Hydrochloride
CID 68385
Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
Pha-568487
CID 9932000
Moxilubant
CID 9955657
Molracetam
CID 779179
CX-546
CID 2890
4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide
CID 5311287
RO 116 1148
CID 44391713

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 2097235) is 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is MAZHOWVGBOYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-24-16-7-6-15(12-17(16)25-5-2)19(23)20-13-18(22)21-10-8-14(3)9-11-21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 348.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2097235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).