(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C17H25F3N4O2 — CID 97325631

IUPAC(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1nc(CN2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)oc1C
InChIInChI=1S/C17H25F3N4O2/c1-12-13(2)26-15(21-12)10-22-6-8-23(9-7-22)14-4-3-5-24(16(14)25)11-17(18,19)20/h14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyQGBCXDDETZKJII-CQSZACIVSA-N
MW374.41 g/mol
LogP1.96
Rot. Bonds4

About (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 97325631) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID97325631
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1nc(CN2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)oc1C
InChIInChI=1S/C17H25F3N4O2/c1-12-13(2)26-15(21-12)10-22-6-8-23(9-7-22)14-4-3-5-24(16(14)25)11-17(18,19)20/h14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyQGBCXDDETZKJII-CQSZACIVSA-N
XLogP1.96
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 97325631) is (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is Cc1nc(CN2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)oc1C.
What is the InChIKey of (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is QGBCXDDETZKJII-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-12-13(2)26-15(21-12)10-22-6-8-23(9-7-22)14-4-3-5-24(16(14)25)11-17(18,19)20/h14H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
(3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 374.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 97325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).