N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide

C21H32F2N2O2 — CID 138712347

IUPACN-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(C)c(F)c(N2CCC(OC)CC2)c(F)c1CC
InChIInChI=1S/C21H32F2N2O2/c1-5-7-8-9-17(26)24-20-14(3)18(22)21(19(23)16(20)6-2)25-12-10-15(27-4)11-13-25/h15H,5-13H2,1-4H3,(H,24,26)
InChIKeyNCXVNDGARDUWPK-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.97
Rot. Bonds8

About N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide

N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide (PubChem CID 138712347) has the molecular formula C21H32F2N2O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide.

Molecular Properties

Compound NameN-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide
PubChem CID138712347
Molecular FormulaC21H32F2N2O2
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC NameN-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1c(C)c(F)c(N2CCC(OC)CC2)c(F)c1CC
InChIInChI=1S/C21H32F2N2O2/c1-5-7-8-9-17(26)24-20-14(3)18(22)21(19(23)16(20)6-2)25-12-10-15(27-4)11-13-25/h15H,5-13H2,1-4H3,(H,24,26)
InChIKeyNCXVNDGARDUWPK-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-difluoro-4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]hexanamide
CID 138712461
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
CID 19788185
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
CID 19788230
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
N-[4-[3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-5,5-dimethyl-2H-pyrrol-1-yl]-3,5-difluoro-2,6-dimethylphenyl]hexanamide
CID 138712356
N-(3-oxocyclohexen-1-yl)octanamide
CID 53239922

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide?
The IUPAC name of N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide (CID 138712347) is N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide.
What is the SMILES notation for N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide?
The canonical SMILES for N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide is CCCCCC(=O)Nc1c(C)c(F)c(N2CCC(OC)CC2)c(F)c1CC.
What is the InChIKey of N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide?
The InChIKey is NCXVNDGARDUWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2N2O2/c1-5-7-8-9-17(26)24-20-14(3)18(22)21(19(23)16(20)6-2)25-12-10-15(27-4)11-13-25/h15H,5-13H2,1-4H3,(H,24,26).
What are the key properties of N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide?
N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide has a molecular weight of 382.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-3,5-difluoro-4-(4-methoxypiperidin-1-yl)-6-methylphenyl]hexanamide is sourced from PubChem (CID 138712347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).