[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone

C17H20F2N2O3 — CID 95173055

IUPAC[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCCN1C(=O)c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C17H20F2N2O3/c18-12-4-5-14(19)13(11-12)16(22)21-6-2-1-3-15(21)17(23)20-7-9-24-10-8-20/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1
InChIKeyPIXVTOMZXOAFQI-OAHLLOKOSA-N
MW338.35 g/mol
LogP1.82
Rot. Bonds2

About [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95173055) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID95173055
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCCN1C(=O)c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C17H20F2N2O3/c18-12-4-5-14(19)13(11-12)16(22)21-6-2-1-3-15(21)17(23)20-7-9-24-10-8-20/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1
InChIKeyPIXVTOMZXOAFQI-OAHLLOKOSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 94161022
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
[4-[[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846548
1-[2-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 55844070
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71862195
1-(2-fluoro-5-sulfanylbenzoyl)piperidine-2-carboxamide
CID 107026087
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone (CID 95173055) is [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone is O=C([C@H]1CCCCN1C(=O)c1cc(F)ccc1F)N1CCOCC1.
What is the InChIKey of [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PIXVTOMZXOAFQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-12-4-5-14(19)13(11-12)16(22)21-6-2-1-3-15(21)17(23)20-7-9-24-10-8-20/h4-5,11,15H,1-3,6-10H2/t15-/m1/s1.
What are the key properties of [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 338.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95173055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).