(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one

C18H16F3N3O2 — CID 126434667

IUPAC(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H16F3N3O2/c1-11-16(25)23-8-9-24(11)17(26)13-4-2-12(3-5-13)15-10-14(6-7-22-15)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyYXNGUILHWCHHMP-LLVKDONJSA-N
MW363.34 g/mol
LogP2.73
Rot. Bonds2

About (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one

(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one (PubChem CID 126434667) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
PubChem CID126434667
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C18H16F3N3O2/c1-11-16(25)23-8-9-24(11)17(26)13-4-2-12(3-5-13)15-10-14(6-7-22-15)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,23,25)/t11-/m1/s1
InChIKeyYXNGUILHWCHHMP-LLVKDONJSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one?
The IUPAC name of (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one (CID 126434667) is (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one is C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one?
The InChIKey is YXNGUILHWCHHMP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-11-16(25)23-8-9-24(11)17(26)13-4-2-12(3-5-13)15-10-14(6-7-22-15)18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,23,25)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one?
(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one has a molecular weight of 363.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one is sourced from PubChem (CID 126434667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).