3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride

C17H27ClN2O3 — CID 119388905

IUPAC3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-11-22-15-6-5-13(12-16(15)21-4-2)17(20)19-14-7-9-18-10-8-14;/h5-6,12,14,18H,3-4,7-11H2,1-2H3,(H,19,20);1H
InChIKeyJAHXPKLTEIDDRZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.78
Rot. Bonds7

About 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride

3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride (PubChem CID 119388905) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
PubChem CID119388905
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCNCC2)cc1OCC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-11-22-15-6-5-13(12-16(15)21-4-2)17(20)19-14-7-9-18-10-8-14;/h5-6,12,14,18H,3-4,7-11H2,1-2H3,(H,19,20);1H
InChIKeyJAHXPKLTEIDDRZ-UHFFFAOYSA-N
XLogP2.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
2-(2-ethoxyphenoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389301
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride?
The IUPAC name of 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride (CID 119388905) is 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride?
The canonical SMILES for 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride is CCCOc1ccc(C(=O)NC2CCNCC2)cc1OCC.Cl.
What is the InChIKey of 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride?
The InChIKey is JAHXPKLTEIDDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-3-11-22-15-6-5-13(12-16(15)21-4-2)17(20)19-14-7-9-18-10-8-14;/h5-6,12,14,18H,3-4,7-11H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride?
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119388905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).