2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

C16H25ClN2O3 — CID 119474046

IUPAC2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(12-5-4-8-17-10-12)18-16(19)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H
InChIKeyYIGXEPQTUHGCEI-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.24
Rot. Bonds5

About 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119474046) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119474046
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(12-5-4-8-17-10-12)18-16(19)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H
InChIKeyYIGXEPQTUHGCEI-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
2-(3,4-dimethoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119474033
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119474046) is 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(OC)c(C(=O)NC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is YIGXEPQTUHGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(12-5-4-8-17-10-12)18-16(19)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119474046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).