2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C17H27ClN2O3 — CID 119826026

IUPAC2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OC)c1OC)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-4-12-19(13-8-10-18-11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3;/h5-7,13,18H,4,8-12H2,1-3H3;1H
InChIKeyMYMMTANEZVVNBE-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.73
Rot. Bonds6

About 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119826026) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119826026
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OC)c1OC)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-4-12-19(13-8-10-18-11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3;/h5-7,13,18H,4,8-12H2,1-3H3;1H
InChIKeyMYMMTANEZVVNBE-UHFFFAOYSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
naphthalen-1-yl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
CID 18372776
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
2-fluoro-4-(4-methoxyphenyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825125
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119826026) is 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(OC)c1OC)C1CCNCC1.Cl.
What is the InChIKey of 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is MYMMTANEZVVNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-4-12-19(13-8-10-18-11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3;/h5-7,13,18H,4,8-12H2,1-3H3;1H.
What are the key properties of 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119826026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).