3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H24FN3O4 — CID 134800051

IUPAC3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C20H24FN3O4/c21-15-5-3-14(4-6-15)18(25)24-9-1-2-17(24)19(26)22-10-7-16(8-11-22)23-12-13-28-20(23)27/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1
InChIKeyGJKRUTUYQJIYIP-QGZVFWFLSA-N
MW389.43 g/mol
LogP1.87
Rot. Bonds3

About 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134800051) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134800051
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C20H24FN3O4/c21-15-5-3-14(4-6-15)18(25)24-9-1-2-17(24)19(26)22-10-7-16(8-11-22)23-12-13-28-20(23)27/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1
InChIKeyGJKRUTUYQJIYIP-QGZVFWFLSA-N
XLogP1.87
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134800051) is 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C([C@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GJKRUTUYQJIYIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-15-5-3-14(4-6-15)18(25)24-9-1-2-17(24)19(26)22-10-7-16(8-11-22)23-12-13-28-20(23)27/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1.
What are the key properties of 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 389.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).