4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide

C25H29FN2O4 — CID 100683391

IUPAC4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
SMILESO=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C25H29FN2O4/c26-20-6-4-19(5-7-20)25(12-16-31-17-13-25)24(30)27-21-8-10-22(11-9-21)32-18-23(29)28-14-2-1-3-15-28/h4-11H,1-3,12-18H2,(H,27,30)
InChIKeyGDDUPEVGJYKKPP-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.90
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide

4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide (PubChem CID 100683391) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
PubChem CID100683391
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide
SMILESO=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C25H29FN2O4/c26-20-6-4-19(5-7-20)25(12-16-31-17-13-25)24(30)27-21-8-10-22(11-9-21)32-18-23(29)28-14-2-1-3-15-28/h4-11H,1-3,12-18H2,(H,27,30)
InChIKeyGDDUPEVGJYKKPP-UHFFFAOYSA-N
XLogP3.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 100674043
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683600
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
1-(4-fluorophenyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100664752
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide (CID 100683391) is 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide is O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is GDDUPEVGJYKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c26-20-6-4-19(5-7-20)25(12-16-31-17-13-25)24(30)27-21-8-10-22(11-9-21)32-18-23(29)28-14-2-1-3-15-28/h4-11H,1-3,12-18H2,(H,27,30).
What are the key properties of 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide?
4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100683391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).