(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide

C18H20FN3O3 — CID 128989165

IUPAC(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccc1F
InChIInChI=1S/C18H20FN3O3/c19-15-2-1-12(9-13(15)10-20)18(24)22-6-3-11(4-7-22)16-14(17(21)23)5-8-25-16/h1-2,9,11,14,16H,3-8H2,(H2,21,23)/t14-,16+/m0/s1
InChIKeyGAGXEDUVPLHFEG-GOEBONIOSA-N
MW345.37 g/mol
LogP1.44
Rot. Bonds3

About (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128989165) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128989165
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccc1F
InChIInChI=1S/C18H20FN3O3/c19-15-2-1-12(9-13(15)10-20)18(24)22-6-3-11(4-7-22)16-14(17(21)23)5-8-25-16/h1-2,9,11,14,16H,3-8H2,(H2,21,23)/t14-,16+/m0/s1
InChIKeyGAGXEDUVPLHFEG-GOEBONIOSA-N
XLogP1.44
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide (CID 128989165) is (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide is N#Cc1cc(C(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccc1F.
What is the InChIKey of (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is GAGXEDUVPLHFEG-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-15-2-1-12(9-13(15)10-20)18(24)22-6-3-11(4-7-22)16-14(17(21)23)5-8-25-16/h1-2,9,11,14,16H,3-8H2,(H2,21,23)/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(3-cyano-4-fluorobenzoyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128989165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).