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

C16H23Cl3N2O2 — CID 120600169

IUPAC4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCN1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-11-9-13(6-7-19-11)20-16(21)3-2-8-22-15-5-4-12(17)10-14(15)18;/h4-5,10-11,13,19H,2-3,6-9H2,1H3,(H,20,21);1H
InChIKeyQMQKOZIGTUPXOP-UHFFFAOYSA-N
MW381.73 g/mol
LogP3.83
Rot. Bonds6

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

4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120600169) has the molecular formula C16H23Cl3N2O2 and a molecular weight of 381.73 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120600169
Molecular FormulaC16H23Cl3N2O2
Molecular Weight381.73 g/mol
Exact Mass380.08
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCN1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-11-9-13(6-7-19-11)20-16(21)3-2-8-22-15-5-4-12(17)10-14(15)18;/h4-5,10-11,13,19H,2-3,6-9H2,1H3,(H,20,21);1H
InChIKeyQMQKOZIGTUPXOP-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.73
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120600169) is 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is CC1CC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CCN1.Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is QMQKOZIGTUPXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2.ClH/c1-11-9-13(6-7-19-11)20-16(21)3-2-8-22-15-5-4-12(17)10-14(15)18;/h4-5,10-11,13,19H,2-3,6-9H2,1H3,(H,20,21);1H.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 381.73 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120600169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).