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

C22H26F3N3O4 — CID 134800567

IUPAC3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(N3CCOC3=O)CC2)CC1
InChIInChI=1S/C22H26F3N3O4/c23-22(24,25)17-3-1-15(2-4-17)19(29)26-9-5-16(6-10-26)20(30)27-11-7-18(8-12-27)28-13-14-32-21(28)31/h1-4,16,18H,5-14H2
InChIKeyVLAZUYIDILJGRJ-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.00
Rot. Bonds3

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

3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134800567) has the molecular formula C22H26F3N3O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134800567
Molecular FormulaC22H26F3N3O4
Molecular Weight453.46 g/mol
Exact Mass453.19
IUPAC Name3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(N3CCOC3=O)CC2)CC1
InChIInChI=1S/C22H26F3N3O4/c23-22(24,25)17-3-1-15(2-4-17)19(29)26-9-5-16(6-10-26)20(30)27-11-7-18(8-12-27)28-13-14-32-21(28)31/h1-4,16,18H,5-14H2
InChIKeyVLAZUYIDILJGRJ-UHFFFAOYSA-N
XLogP3.00
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Bavisant
CID 16061509
[4-(2,6-Dimethylmorpholin-4-yl)piperidin-1-yl]-phenylmethanone
CID 660329
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
(4-Cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 59218182
(4-Morpholin-4-ylmethyl-phenyl)-piperidin-1-yl-methanone
CID 2864373
4-[1-(3-Fluorobenzoyl)-4-piperidinyl]morpholine oxalate
CID 2911305
Ethyl 4-{1-[2-(trifluoromethyl)benzoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 24793135
[1-[1-(2,5-Difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817703
US10030020, Example 276
CID 132132716
US10030020, Example 281
CID 132132823
US10858373, Example 8
CID 135238387
2-[(3R,4S)-3-(2-morpholin-4-ylethyl)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetic acid
CID 25312971

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134800567) is 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(N3CCOC3=O)CC2)CC1.
What is the InChIKey of 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is VLAZUYIDILJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O4/c23-22(24,25)17-3-1-15(2-4-17)19(29)26-9-5-16(6-10-26)20(30)27-11-7-18(8-12-27)28-13-14-32-21(28)31/h1-4,16,18H,5-14H2.
What are the key properties of 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 453.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134800567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).