N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C16H22Cl2N2O2 — CID 120625301

IUPACN-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2c(Cl)cccc2Cl)CCNCC1
InChIInChI=1S/C16H22Cl2N2O2/c1-22-11-16(6-9-19-10-7-16)15(21)20-8-5-12-13(17)3-2-4-14(12)18/h2-4,19H,5-11H2,1H3,(H,20,21)
InChIKeyJEUGEBVINRYHJB-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120625301) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120625301
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2c(Cl)cccc2Cl)CCNCC1
InChIInChI=1S/C16H22Cl2N2O2/c1-22-11-16(6-9-19-10-7-16)15(21)20-8-5-12-13(17)3-2-4-14(12)18/h2-4,19H,5-11H2,1H3,(H,20,21)
InChIKeyJEUGEBVINRYHJB-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630764
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120635947
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120625301) is N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCc2c(Cl)cccc2Cl)CCNCC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is JEUGEBVINRYHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-22-11-16(6-9-19-10-7-16)15(21)20-8-5-12-13(17)3-2-4-14(12)18/h2-4,19H,5-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120625301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).