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

C16H20F2N2O2 — CID 162646531

IUPAC4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCN1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-20-8-6-12(7-9-20)19-16(22)5-4-15(21)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,22)
InChIKeyHGESAZWCLRHYBI-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.14
Rot. Bonds5

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

4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide (PubChem CID 162646531) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide
PubChem CID162646531
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCN1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-20-8-6-12(7-9-20)19-16(22)5-4-15(21)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,22)
InChIKeyHGESAZWCLRHYBI-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pipamperone
CID 4830
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
Roxoperone
CID 71117
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
Buronil
CID 15386
Carperone
CID 30429
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443
N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744755
N-Cyclopentyl-2-[4-(4-methyl-benzoyl)-piperidin-1-yl]-acetamide
CID 1438298
tert-butyl 4-{[(2,4-difluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810467
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 3344201

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide (CID 162646531) is 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide is CN1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide?
The InChIKey is HGESAZWCLRHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-20-8-6-12(7-9-20)19-16(22)5-4-15(21)13-3-2-11(17)10-14(13)18/h2-3,10,12H,4-9H2,1H3,(H,19,22).
What are the key properties of 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide?
4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide has a molecular weight of 310.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 162646531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).