[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone

C15H20F2N2O — CID 63187071

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-3-11-6-4-5-7-19(11)15(20)10-8-12(16)14(18-2)13(17)9-10/h8-9,11,18H,3-7H2,1-2H3
InChIKeyMAIOBHSZLNUQRH-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.41
Rot. Bonds3

About [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone

[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 63187071) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID63187071
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-3-11-6-4-5-7-19(11)15(20)10-8-12(16)14(18-2)13(17)9-10/h8-9,11,18H,3-7H2,1-2H3
InChIKeyMAIOBHSZLNUQRH-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(propylamino)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 63183625
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3,5-difluoro-4-(methylamino)phenyl]methanone
CID 65324906
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 63185756
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[2-(2-chloroethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393828
[1-(3,4,5-trifluorobenzoyl)piperidin-2-yl]methylurea
CID 56826500
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone (CID 63187071) is [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is MAIOBHSZLNUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-3-11-6-4-5-7-19(11)15(20)10-8-12(16)14(18-2)13(17)9-10/h8-9,11,18H,3-7H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone?
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63187071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).