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

C20H24FN3O4 — CID 134797633

IUPAC3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccccc1F)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C20H24FN3O4/c21-16-5-2-1-4-15(16)18(25)24-9-3-6-17(24)19(26)22-10-7-14(8-11-22)23-12-13-28-20(23)27/h1-2,4-5,14,17H,3,6-13H2/t17-/m1/s1
InChIKeyLZFKTEBAYJDORU-QGZVFWFLSA-N
MW389.43 g/mol
LogP1.87
Rot. Bonds3

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

3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134797633) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134797633
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccccc1F)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C20H24FN3O4/c21-16-5-2-1-4-15(16)18(25)24-9-3-6-17(24)19(26)22-10-7-14(8-11-22)23-12-13-28-20(23)27/h1-2,4-5,14,17H,3,6-13H2/t17-/m1/s1
InChIKeyLZFKTEBAYJDORU-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-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Ethyl 4-[2-[(2-fluorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2568966
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
ethyl 3-[(3R)-3-benzamidopyrrolidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 53385877
(S)-(1-Benzoylpyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 25775505
ethyl (1R,5S)-3-[2-[(4-fluorobenzoyl)amino]ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70687830
ethyl (1R,5S)-3-[2-[(3,4-difluorobenzoyl)amino]ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70692025
1-[4-Fluoro-1-(3-methylbenzoyl)pyrrolidine-2-carbonyl]piperidine
CID 110875923
ethyl 3-[(3S)-3-benzamidopyrrolidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70685676
3-[2-(Dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706870
(2S)-N-benzyl-1-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 50985877
Ethyl 4-[(3-fluorophenyl)carbonyl]piperazine-1-carboxylate
CID 1086966
methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
CID 7663593

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134797633) is 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C([C@H]1CCCN1C(=O)c1ccccc1F)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LZFKTEBAYJDORU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-16-5-2-1-4-15(16)18(25)24-9-3-6-17(24)19(26)22-10-7-14(8-11-22)23-12-13-28-20(23)27/h1-2,4-5,14,17H,3,6-13H2/t17-/m1/s1.
What are the key properties of 3-[1-[(2R)-1-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2R)-1-(2-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-(2-fluorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134797633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).