[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C24H26F2N2O4 — CID 53150445

IUPAC[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H26F2N2O4/c25-19-3-6-21(22(26)15-19)24(30)27-9-7-17(8-10-27)16-32-20-4-1-18(2-5-20)23(29)28-11-13-31-14-12-28/h1-6,15,17H,7-14,16H2
InChIKeyKPSDXXDOMKUDCX-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.37
Rot. Bonds5

About [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 53150445) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID53150445
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H26F2N2O4/c25-19-3-6-21(22(26)15-19)24(30)27-9-7-17(8-10-27)16-32-20-4-1-18(2-5-20)23(29)28-11-13-31-14-12-28/h1-6,15,17H,7-14,16H2
InChIKeyKPSDXXDOMKUDCX-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
(3-fluorophenyl)-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 50846441
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 53150445) is [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1)N1CCOCC1.
What is the InChIKey of [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is KPSDXXDOMKUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4/c25-19-3-6-21(22(26)15-19)24(30)27-9-7-17(8-10-27)16-32-20-4-1-18(2-5-20)23(29)28-11-13-31-14-12-28/h1-6,15,17H,7-14,16H2.
What are the key properties of [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 444.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53150445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).