(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide

C12H18F3N3O2 — CID 164633751

IUPAC(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2(C(F)(F)F)CCC2)CC(=O)N1
InChIInChI=1S/C12H18F3N3O2/c1-8-5-18(6-9(19)17-8)10(20)16-7-11(3-2-4-11)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1
InChIKeyJOSCRJUSTNNUGX-QMMMGPOBSA-N
MW293.29 g/mol
LogP1.25
Rot. Bonds2

About (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide

(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide (PubChem CID 164633751) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide
PubChem CID164633751
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCC2(C(F)(F)F)CCC2)CC(=O)N1
InChIInChI=1S/C12H18F3N3O2/c1-8-5-18(6-9(19)17-8)10(20)16-7-11(3-2-4-11)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1
InChIKeyJOSCRJUSTNNUGX-QMMMGPOBSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide (CID 164633751) is (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide is C[C@H]1CN(C(=O)NCC2(C(F)(F)F)CCC2)CC(=O)N1.
What is the InChIKey of (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide?
The InChIKey is JOSCRJUSTNNUGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8-5-18(6-9(19)17-8)10(20)16-7-11(3-2-4-11)12(13,14)15/h8H,2-7H2,1H3,(H,16,20)(H,17,19)/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide?
(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 164633751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).