1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide

C17H24Cl2N2O2 — CID 46943772

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(16(22)20-7-9-23-2)6-3-8-21(12-17)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyHQIIRENVVMKPPZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.36
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide (PubChem CID 46943772) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
PubChem CID46943772
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(16(22)20-7-9-23-2)6-3-8-21(12-17)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,20,22)
InChIKeyHQIIRENVVMKPPZ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide (CID 46943772) is 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide is COCCNC(=O)C1(C)CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is HQIIRENVVMKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(16(22)20-7-9-23-2)6-3-8-21(12-17)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,20,22).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46943772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).