N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide

C15H20F2N2O — CID 106739949

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCCc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-10-6-12(3-5-18-10)15(20)19-4-2-11-7-13(16)9-14(17)8-11/h7-10,12,18H,2-6H2,1H3,(H,19,20)
InChIKeyLJFRVMLHELBYPX-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106739949) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID106739949
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCCc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-10-6-12(3-5-18-10)15(20)19-4-2-11-7-13(16)9-14(17)8-11/h7-10,12,18H,2-6H2,1H3,(H,19,20)
InChIKeyLJFRVMLHELBYPX-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120641011
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641010
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 106739949) is N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NCCc2cc(F)cc(F)c2)CCN1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is LJFRVMLHELBYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-6-12(3-5-18-10)15(20)19-4-2-11-7-13(16)9-14(17)8-11/h7-10,12,18H,2-6H2,1H3,(H,19,20).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).