1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

C22H26Cl2N2O2 — CID 43921165

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-19-7-4-16(5-8-19)10-11-25-22(27)18-3-2-12-26(15-18)14-17-6-9-20(23)21(24)13-17/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,27)
InChIKeyDSFAFZQYKAPZTG-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.57
Rot. Bonds7

About 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 43921165) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID43921165
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-19-7-4-16(5-8-19)10-11-25-22(27)18-3-2-12-26(15-18)14-17-6-9-20(23)21(24)13-17/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,27)
InChIKeyDSFAFZQYKAPZTG-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46773556
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-[(3,4-dichlorophenyl)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923526
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
1-[(3-chloro-4-hydroxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 45184860

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 43921165) is 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DSFAFZQYKAPZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-28-19-7-4-16(5-8-19)10-11-25-22(27)18-3-2-12-26(15-18)14-17-6-9-20(23)21(24)13-17/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,27).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 4.57, 7 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-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).