(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone

C18H22F2N2O3 — CID 120925889

IUPAC(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H22F2N2O3/c1-11-16(21-6-9-25-11)18(24)22-7-4-12(5-8-22)17(23)14-10-13(19)2-3-15(14)20/h2-3,10-12,16,21H,4-9H2,1H3/t11-,16+/m1/s1
InChIKeyDROWIKNQYPDCOG-BZNIZROVSA-N
MW352.38 g/mol
LogP1.76
Rot. Bonds3

About (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone

(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 120925889) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID120925889
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H22F2N2O3/c1-11-16(21-6-9-25-11)18(24)22-7-4-12(5-8-22)17(23)14-10-13(19)2-3-15(14)20/h2-3,10-12,16,21H,4-9H2,1H3/t11-,16+/m1/s1
InChIKeyDROWIKNQYPDCOG-BZNIZROVSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone (CID 120925889) is (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is DROWIKNQYPDCOG-BZNIZROVSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-11-16(21-6-9-25-11)18(24)22-7-4-12(5-8-22)17(23)14-10-13(19)2-3-15(14)20/h2-3,10-12,16,21H,4-9H2,1H3/t11-,16+/m1/s1.
What are the key properties of (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone?
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 352.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 120925889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).