3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C19H31ClN2O4 — CID 120601431

IUPAC3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCCOc1cc(C(=O)NC2CCNC(C)C2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-5-23-16-11-14(12-17(24-6-2)18(16)25-7-3)19(22)21-15-8-9-20-13(4)10-15;/h11-13,15,20H,5-10H2,1-4H3,(H,21,22);1H
InChIKeyCSGHBQOSDQTTDG-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.17
Rot. Bonds8

About 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120601431) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120601431
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCCOc1cc(C(=O)NC2CCNC(C)C2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-5-23-16-11-14(12-17(24-6-2)18(16)25-7-3)19(22)21-15-8-9-20-13(4)10-15;/h11-13,15,20H,5-10H2,1-4H3,(H,21,22);1H
InChIKeyCSGHBQOSDQTTDG-UHFFFAOYSA-N
XLogP3.17
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120600670
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120601431) is 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is CCOc1cc(C(=O)NC2CCNC(C)C2)cc(OCC)c1OCC.Cl.
What is the InChIKey of 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is CSGHBQOSDQTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-5-23-16-11-14(12-17(24-6-2)18(16)25-7-3)19(22)21-15-8-9-20-13(4)10-15;/h11-13,15,20H,5-10H2,1-4H3,(H,21,22);1H.
What are the key properties of 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120601431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).