4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

C22H25FN2O2 — CID 108739319

IUPAC4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25FN2O2/c23-19-8-6-18(7-9-19)21(26)12-13-22(27)24-20-10-4-17(5-11-20)16-25-14-2-1-3-15-25/h4-11H,1-3,12-16H2,(H,24,27)
InChIKeyMWILQONGOFGKKR-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.41
Rot. Bonds7

About 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide

4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (PubChem CID 108739319) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
PubChem CID108739319
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H25FN2O2/c23-19-8-6-18(7-9-19)21(26)12-13-22(27)24-20-10-4-17(5-11-20)16-25-14-2-1-3-15-25/h4-11H,1-3,12-16H2,(H,24,27)
InChIKeyMWILQONGOFGKKR-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
4-(4-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 108743738
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8871255
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide (CID 108739319) is 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is MWILQONGOFGKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-8-6-18(7-9-19)21(26)12-13-22(27)24-20-10-4-17(5-11-20)16-25-14-2-1-3-15-25/h4-11H,1-3,12-16H2,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide?
4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 368.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 108739319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).