2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride

C15H23ClN2O4 — CID 119426612

IUPAC2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(OC)c(C(=O)NC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-8-14(21-3)13(20-2)7-11(12)15(18)17-10-5-4-6-16-9-10;/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18);1H
InChIKeyGFFRDCHPSQVLDS-UHFFFAOYSA-N
MW330.81 g/mol
LogP1.62
Rot. Bonds5

About 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride

2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426612) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426612
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(OC)c(C(=O)NC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-8-14(21-3)13(20-2)7-11(12)15(18)17-10-5-4-6-16-9-10;/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18);1H
InChIKeyGFFRDCHPSQVLDS-UHFFFAOYSA-N
XLogP1.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
CID 177120927

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426612) is 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride is COc1cc(OC)c(C(=O)NC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is GFFRDCHPSQVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-19-12-8-14(21-3)13(20-2)7-11(12)15(18)17-10-5-4-6-16-9-10;/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18);1H.
What are the key properties of 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride?
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).