1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C22H26Cl2N2O2 — CID 44528938

IUPAC1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-15-12-25-22(27)18-10-13-26(14-11-18)21(16-2-6-19(23)7-3-16)17-4-8-20(24)9-5-17/h2-9,18,21H,10-15H2,1H3,(H,25,27)
InChIKeyARSUKRKASCXWDW-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.56
Rot. Bonds7

About 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 44528938) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID44528938
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-15-12-25-22(27)18-10-13-26(14-11-18)21(16-2-6-19(23)7-3-16)17-4-8-20(24)9-5-17/h2-9,18,21H,10-15H2,1H3,(H,25,27)
InChIKeyARSUKRKASCXWDW-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.56
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-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 44528938) is 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is ARSUKRKASCXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-28-15-12-25-22(27)18-10-13-26(14-11-18)21(16-2-6-19(23)7-3-16)17-4-8-20(24)9-5-17/h2-9,18,21H,10-15H2,1H3,(H,25,27).
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 44528938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).