N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

C26H32F2N2O3 — CID 55739954

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C26H32F2N2O3/c1-18(2)15-19-3-7-21(8-4-19)25(32)22-11-13-30(14-12-22)17-24(31)29-16-20-5-9-23(10-6-20)33-26(27)28/h3-10,18,22,26H,11-17H2,1-2H3,(H,29,31)
InChIKeyZEHODJWJQMHGGY-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.70
Rot. Bonds10

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (PubChem CID 55739954) has the molecular formula C26H32F2N2O3 and a molecular weight of 458.55 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
PubChem CID55739954
Molecular FormulaC26H32F2N2O3
Molecular Weight458.55 g/mol
Exact Mass458.24
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C26H32F2N2O3/c1-18(2)15-19-3-7-21(8-4-19)25(32)22-11-13-30(14-12-22)17-24(31)29-16-20-5-9-23(10-6-20)33-26(27)28/h3-10,18,22,26H,11-17H2,1-2H3,(H,29,31)
InChIKeyZEHODJWJQMHGGY-UHFFFAOYSA-N
XLogP4.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 51946728
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 60511176
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907147
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 95576076
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (CID 55739954) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The InChIKey is ZEHODJWJQMHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O3/c1-18(2)15-19-3-7-21(8-4-19)25(32)22-11-13-30(14-12-22)17-24(31)29-16-20-5-9-23(10-6-20)33-26(27)28/h3-10,18,22,26H,11-17H2,1-2H3,(H,29,31).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide has a molecular weight of 458.55 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 55739954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).