3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride

C18H28Cl2N2O3 — CID 120600118

IUPAC3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCNC(C)C2)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-8-24-17-15(19)10-13(11-16(17)23-5-2)18(22)21-14-6-7-20-12(3)9-14;/h10-12,14,20H,4-9H2,1-3H3,(H,21,22);1H
InChIKeyOIFWXWVZDOHGHV-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.82
Rot. Bonds7

About 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride

3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride (PubChem CID 120600118) has the molecular formula C18H28Cl2N2O3 and a molecular weight of 391.34 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
PubChem CID120600118
Molecular FormulaC18H28Cl2N2O3
Molecular Weight391.34 g/mol
Exact Mass390.15
IUPAC Name3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCNC(C)C2)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-8-24-17-15(19)10-13(11-16(17)23-5-2)18(22)21-14-6-7-20-12(3)9-14;/h10-12,14,20H,4-9H2,1-3H3,(H,21,22);1H
InChIKeyOIFWXWVZDOHGHV-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
CID 51923190
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
3-chloro-N-cyclopentyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzamide
CID 70790010

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride?
The IUPAC name of 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride (CID 120600118) is 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)NC2CCNC(C)C2)cc1OCC.Cl.
What is the InChIKey of 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride?
The InChIKey is OIFWXWVZDOHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3.ClH/c1-4-8-24-17-15(19)10-13(11-16(17)23-5-2)18(22)21-14-6-7-20-12(3)9-14;/h10-12,14,20H,4-9H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride?
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride has a molecular weight of 391.34 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 120600118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).