2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C15H19F3N4O2 — CID 90261877

IUPAC2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1(C)NCCN(CC(=O)NCc2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(6-5-21-14)9-12(23)20-8-10-3-4-11(19-7-10)15(16,17)18/h3-4,7,21H,5-6,8-9H2,1-2H3,(H,20,23)
InChIKeyLXPOHEDORNMHCL-UHFFFAOYSA-N
MW344.34 g/mol
LogP0.93
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 90261877) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID90261877
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1(C)NCCN(CC(=O)NCc2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(6-5-21-14)9-12(23)20-8-10-3-4-11(19-7-10)15(16,17)18/h3-4,7,21H,5-6,8-9H2,1-2H3,(H,20,23)
InChIKeyLXPOHEDORNMHCL-UHFFFAOYSA-N
XLogP0.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 90261877) is 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1(C)NCCN(CC(=O)NCc2ccc(C(F)(F)F)nc2)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is LXPOHEDORNMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(6-5-21-14)9-12(23)20-8-10-3-4-11(19-7-10)15(16,17)18/h3-4,7,21H,5-6,8-9H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 90261877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).