1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride

C23H29Cl3N2O2 — CID 45265067

IUPAC1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C23H28Cl2N2O2.ClH/c1-26(2)23(28)19-4-3-13-27(16-19)14-15-29-22(17-5-9-20(24)10-6-17)18-7-11-21(25)12-8-18;/h5-12,19,22H,3-4,13-16H2,1-2H3;1H
InChIKeyHWJZTFJNUXQEIH-UHFFFAOYSA-N
MW471.86 g/mol
LogP5.32
Rot. Bonds7

About 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride

1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride (PubChem CID 45265067) has the molecular formula C23H29Cl3N2O2 and a molecular weight of 471.86 g/mol. Its IUPAC name is 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride
PubChem CID45265067
Molecular FormulaC23H29Cl3N2O2
Molecular Weight471.86 g/mol
Exact Mass470.13
IUPAC Name1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C23H28Cl2N2O2.ClH/c1-26(2)23(28)19-4-3-13-27(16-19)14-15-29-22(17-5-9-20(24)10-6-17)18-7-11-21(25)12-8-18;/h5-12,19,22H,3-4,13-16H2,1-2H3;1H
InChIKeyHWJZTFJNUXQEIH-UHFFFAOYSA-N
XLogP5.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.86
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride (CID 45265067) is 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride is CN(C)C(=O)C1CCCN(CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is HWJZTFJNUXQEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2.ClH/c1-26(2)23(28)19-4-3-13-27(16-19)14-15-29-22(17-5-9-20(24)10-6-17)18-7-11-21(25)12-8-18;/h5-12,19,22H,3-4,13-16H2,1-2H3;1H.
What are the key properties of 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride?
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 471.86 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-N,N-dimethylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 45265067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).