(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C18H20F3N3O2 — CID 95985588

IUPAC(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCC[C@@H](C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O2/c1-2-14(12-6-4-3-5-7-12)16(25)24-10-8-13(9-11-24)15-22-23-17(26-15)18(19,20)21/h3-7,13-14H,2,8-11H2,1H3/t14-/m1/s1
InChIKeyKOUXJPLJKTXUKO-CQSZACIVSA-N
MW367.37 g/mol
LogP3.99
Rot. Bonds4

About (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 95985588) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID95985588
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCC[C@@H](C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1
InChIInChI=1S/C18H20F3N3O2/c1-2-14(12-6-4-3-5-7-12)16(25)24-10-8-13(9-11-24)15-22-23-17(26-15)18(19,20)21/h3-7,13-14H,2,8-11H2,1H3/t14-/m1/s1
InChIKeyKOUXJPLJKTXUKO-CQSZACIVSA-N
XLogP3.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 16191891
N-isobutyl-N-methyl-3-{5-[3-(trifluoromethyl)benzyl]-1,3,4-oxadiazol-2-yl}propanamide
CID 16187499
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(2-phenylpropyl)propanamide
CID 16190696
3-[5-(biphenyl-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-isobutyl-N-methylpropanamide
CID 16191601
N,N-diethyl-3-{5-[3-(trifluoromethyl)benzyl]-1,3,4-oxadiazol-2-yl}propanamide
CID 16192088
4-(3-Methoxypropyl)-1-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperidine
CID 16187459
1-Acetyl-4-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperazine
CID 16187509
N-ethyl-N-(2-methylprop-2-en-1-yl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16190076
4-(Methoxymethyl)-1-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperidine
CID 16191615
(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44062002
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2,4-difluorophenyl)methanone
CID 44062151
(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 44062159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 95985588) is (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is CC[C@@H](C(=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is KOUXJPLJKTXUKO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-2-14(12-6-4-3-5-7-12)16(25)24-10-8-13(9-11-24)15-22-23-17(26-15)18(19,20)21/h3-7,13-14H,2,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
(2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 367.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95985588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).