3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C17H27ClN2O2 — CID 119823113

IUPAC3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(C)c(OC)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-11-19(15-7-9-18-10-8-15)17(20)14-6-5-13(2)16(12-14)21-3;/h5-6,12,15,18H,4,7-11H2,1-3H3;1H
InChIKeyCVIVHXUCLZMISH-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.03
Rot. Bonds5

About 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119823113) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119823113
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(C)c(OC)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-11-19(15-7-9-18-10-8-15)17(20)14-6-5-13(2)16(12-14)21-3;/h5-6,12,15,18H,4,7-11H2,1-3H3;1H
InChIKeyCVIVHXUCLZMISH-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
3-(cyclopropylsulfamoyl)-4-methoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824864
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-(azetidin-3-yl)-3,4-dimethyl-N-propylbenzamide
CID 66215454
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119823113) is 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(C)c(OC)c1)C1CCNCC1.Cl.
What is the InChIKey of 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is CVIVHXUCLZMISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-4-11-19(15-7-9-18-10-8-15)17(20)14-6-5-13(2)16(12-14)21-3;/h5-6,12,15,18H,4,7-11H2,1-3H3;1H.
What are the key properties of 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119823113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).