3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C19H31ClN2O4 — CID 119442005

IUPAC3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCOc1cc(C(=O)N(C)C2CCNCC2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-5-23-16-12-14(13-17(24-6-2)18(16)25-7-3)19(22)21(4)15-8-10-20-11-9-15;/h12-13,15,20H,5-11H2,1-4H3;1H
InChIKeyRXPMMDWISAWVRW-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.13
Rot. Bonds8

About 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119442005) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119442005
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Name3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCOc1cc(C(=O)N(C)C2CCNCC2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-5-23-16-12-14(13-17(24-6-2)18(16)25-7-3)19(22)21(4)15-8-10-20-11-9-15;/h12-13,15,20H,5-11H2,1-4H3;1H
InChIKeyRXPMMDWISAWVRW-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
3,4,5-triethoxy-N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]benzamide
CID 60604572
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
4-(difluoromethoxy)-N,3,5-trimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444129
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553771
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443735
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119442005) is 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CCOc1cc(C(=O)N(C)C2CCNCC2)cc(OCC)c1OCC.Cl.
What is the InChIKey of 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is RXPMMDWISAWVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-5-23-16-12-14(13-17(24-6-2)18(16)25-7-3)19(22)21(4)15-8-10-20-11-9-15;/h12-13,15,20H,5-11H2,1-4H3;1H.
What are the key properties of 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119442005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).