4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide

C16H21FN2O2 — CID 120600804

IUPAC4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCC1CC(NC(=O)CCC(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H21FN2O2/c1-11-10-14(8-9-18-11)19-16(21)7-6-15(20)12-2-4-13(17)5-3-12/h2-5,11,14,18H,6-10H2,1H3,(H,19,21)
InChIKeyLXDKAFLPUUUCFI-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.05
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide (PubChem CID 120600804) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
PubChem CID120600804
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCC1CC(NC(=O)CCC(=O)c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H21FN2O2/c1-11-10-14(8-9-18-11)19-16(21)7-6-15(20)12-2-4-13(17)5-3-12/h2-5,11,14,18H,6-10H2,1H3,(H,19,21)
InChIKeyLXDKAFLPUUUCFI-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
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
N-4-Piperidylbenzamide
CID 118120
4-(4-Fluorobenzoyl)piperidine
CID 2724440
N-benzyl-4-oxo-4-phenylbutanamide
CID 347385
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
Roxoperone
CID 71117
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
4-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914288
Buronil
CID 15386
N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744755

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide (CID 120600804) is 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide is CC1CC(NC(=O)CCC(=O)c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide?
The InChIKey is LXDKAFLPUUUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-10-14(8-9-18-11)19-16(21)7-6-15(20)12-2-4-13(17)5-3-12/h2-5,11,14,18H,6-10H2,1H3,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide has a molecular weight of 292.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 120600804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).