N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide

C21H28F2N2O2 — CID 162657821

IUPACN-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H28F2N2O2/c22-15-6-7-18(19(23)14-15)20(26)8-9-21(27)24-16-10-12-25(13-11-16)17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13H2,(H,24,27)
InChIKeyYQDOWOXIAXSJEB-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.84
Rot. Bonds6

About N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide

N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide (PubChem CID 162657821) has the molecular formula C21H28F2N2O2 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide
PubChem CID162657821
Molecular FormulaC21H28F2N2O2
Molecular Weight378.46 g/mol
Exact Mass378.21
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H28F2N2O2/c22-15-6-7-18(19(23)14-15)20(26)8-9-21(27)24-16-10-12-25(13-11-16)17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13H2,(H,24,27)
InChIKeyYQDOWOXIAXSJEB-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
CID 119478251
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
4-amino-N-(1-cyclopentylpiperidin-4-yl)butanamide;dihydrochloride
CID 119846701
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide (CID 162657821) is N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
The InChIKey is YQDOWOXIAXSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O2/c22-15-6-7-18(19(23)14-15)20(26)8-9-21(27)24-16-10-12-25(13-11-16)17-4-2-1-3-5-17/h6-7,14,16-17H,1-5,8-13H2,(H,24,27).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide?
N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide has a molecular weight of 378.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 162657821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).