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

C21H24F3N3O4 — CID 134800624

IUPAC3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H24F3N3O4/c22-21(23,24)15-5-3-14(4-6-15)18(28)27-9-1-2-17(27)19(29)25-10-7-16(8-11-25)26-12-13-31-20(26)30/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1
InChIKeyMOTRMAXYEUZBEZ-QGZVFWFLSA-N
MW439.43 g/mol
LogP2.75
Rot. Bonds3

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

3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134800624) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134800624
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C([C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H24F3N3O4/c22-21(23,24)15-5-3-14(4-6-15)18(28)27-9-1-2-17(27)19(29)25-10-7-16(8-11-25)26-12-13-31-20(26)30/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1
InChIKeyMOTRMAXYEUZBEZ-QGZVFWFLSA-N
XLogP2.75
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mdl 101146
CID 46936357
1-{3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
CID 5289347
Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carbonyl)-amino]-1-trifluoromethyl-but-1-enyl ester
CID 10054689
(2S)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 10415869
L-Prolinamide, N-(4-(4-morpholinylcarbonyl)benzoyl)-L-valyl-N-(3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl)-
CID 10439034
(2S)-N-(5,5,6,6,7,7,7-heptafluoro-2-methyl-4-oxoheptan-3-yl)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 10747107
(2S)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 44299235
(S)-1-{(R)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
CID 10556018
3-[2-(Dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706870
(2S)-1-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-N-(3,3,4,4,4-pentafluoro-2-oxobutyl)pyrrolidine-2-carboxamide
CID 10371190
4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(S)-1-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-ethyl]-pyrrolidin-3-yl}-benzamide
CID 10579293
4-(Morpholine-4-carbonyl)-N-{(S)-2-oxo-1-[(S)-1-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-ethyl]-pyrrolidin-3-yl}-benzamide
CID 10698640

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134800624) is 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C([C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MOTRMAXYEUZBEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c22-21(23,24)15-5-3-14(4-6-15)18(28)27-9-1-2-17(27)19(29)25-10-7-16(8-11-25)26-12-13-31-20(26)30/h3-6,16-17H,1-2,7-13H2/t17-/m1/s1.
What are the key properties of 3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2R)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 439.43 g/mol, XLogP of 2.75, 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-(trifluoromethyl)benzoyl]pyrrolidine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134800624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).