N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride

C20H33ClN2O3 — CID 119558696

IUPACN-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NCCC2CCCNC2)cc1OCCC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-12-24-18-8-7-17(14-19(18)25-13-4-2)20(23)22-11-9-16-6-5-10-21-15-16;/h7-8,14,16,21H,3-6,9-13,15H2,1-2H3,(H,22,23);1H
InChIKeyAASSKAVEDAVVNM-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.81
Rot. Bonds10

About N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride (PubChem CID 119558696) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
PubChem CID119558696
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NCCC2CCCNC2)cc1OCCC.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-12-24-18-8-7-17(14-19(18)25-13-4-2)20(23)22-11-9-16-6-5-10-21-15-16;/h7-8,14,16,21H,3-6,9-13,15H2,1-2H3,(H,22,23);1H
InChIKeyAASSKAVEDAVVNM-UHFFFAOYSA-N
XLogP3.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 119556374
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride (CID 119558696) is N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride is CCCOc1ccc(C(=O)NCCC2CCCNC2)cc1OCCC.Cl.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride?
The InChIKey is AASSKAVEDAVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-3-12-24-18-8-7-17(14-19(18)25-13-4-2)20(23)22-11-9-16-6-5-10-21-15-16;/h7-8,14,16,21H,3-6,9-13,15H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride is sourced from PubChem (CID 119558696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).