2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C15H21Cl3N2O2 — CID 120600845

IUPAC2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-9-7-11(5-6-18-9)19-15(20)10(2)21-12-3-4-13(16)14(17)8-12;/h3-4,8-11,18H,5-7H2,1-2H3,(H,19,20);1H
InChIKeyXHVWRUUYGMOROQ-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.44
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120600845) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120600845
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CCN1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-9-7-11(5-6-18-9)19-15(20)10(2)21-12-3-4-13(16)14(17)8-12;/h3-4,8-11,18H,5-7H2,1-2H3,(H,19,20);1H
InChIKeyXHVWRUUYGMOROQ-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120599814
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
2-[(3-methoxyphenyl)methoxy]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598095
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
CID 119477645
N-(2-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120600973

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120600845) is 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CC(NC(=O)C(C)Oc2ccc(Cl)c(Cl)c2)CCN1.Cl.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is XHVWRUUYGMOROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c1-9-7-11(5-6-18-9)19-15(20)10(2)21-12-3-4-13(16)14(17)8-12;/h3-4,8-11,18H,5-7H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120600845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).