N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C15H20F2N2O2 — CID 119722583

IUPACN-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2c(F)cccc2F)CCNCC1
InChIInChI=1S/C15H20F2N2O2/c1-21-15(6-9-18-10-7-15)14(20)19-8-5-11-12(16)3-2-4-13(11)17/h2-4,18H,5-10H2,1H3,(H,19,20)
InChIKeyDVEYAEHRVOFZNF-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119722583) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119722583
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2c(F)cccc2F)CCNCC1
InChIInChI=1S/C15H20F2N2O2/c1-21-15(6-9-18-10-7-15)14(20)19-8-5-11-12(16)3-2-4-13(11)17/h2-4,18H,5-10H2,1H3,(H,19,20)
InChIKeyDVEYAEHRVOFZNF-UHFFFAOYSA-N
XLogP1.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119722583) is N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCc2c(F)cccc2F)CCNCC1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is DVEYAEHRVOFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-21-15(6-9-18-10-7-15)14(20)19-8-5-11-12(16)3-2-4-13(11)17/h2-4,18H,5-10H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119722583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).