1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one

C11H15F3N2O — CID 123733654

IUPAC1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C(C2CC2)C(F)(F)F)CCN1C
InChIInChI=1S/C11H15F3N2O/c1-7-10(17)16(6-5-15(7)2)9(8-3-4-8)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyRBAKXUIUCDVASB-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.62
Rot. Bonds2

About 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one

1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one (PubChem CID 123733654) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one
PubChem CID123733654
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C(C2CC2)C(F)(F)F)CCN1C
InChIInChI=1S/C11H15F3N2O/c1-7-10(17)16(6-5-15(7)2)9(8-3-4-8)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyRBAKXUIUCDVASB-UHFFFAOYSA-N
XLogP1.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1-Fluorocyclopropyl)methyl]-4-methyl-3-methylidenepiperazin-2-one
CID 123173795
4-(2,2-Difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051123
1-(2,2-Difluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528279
4-(Cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051129
1-(Cyclopropylmethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528286

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one?
The IUPAC name of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one (CID 123733654) is 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one.
What is the SMILES notation for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one?
The canonical SMILES for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one is C=C1C(=O)N(C(C2CC2)C(F)(F)F)CCN1C.
What is the InChIKey of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one?
The InChIKey is RBAKXUIUCDVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7-10(17)16(6-5-15(7)2)9(8-3-4-8)11(12,13)14/h8-9H,1,3-6H2,2H3.
What are the key properties of 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one?
1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one has a molecular weight of 248.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one is sourced from PubChem (CID 123733654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).