N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C15H24F3N3O3 — CID 121109699

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H24F3N3O3/c16-15(17,18)10-20-14(23)13(22)19-9-11-1-5-21(6-2-11)12-3-7-24-8-4-12/h11-12H,1-10H2,(H,19,22)(H,20,23)
InChIKeyLNIGIEWNGXHFSE-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.67
Rot. Bonds4

About N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 121109699) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID121109699
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H24F3N3O3/c16-15(17,18)10-20-14(23)13(22)19-9-11-1-5-21(6-2-11)12-3-7-24-8-4-12/h11-12H,1-10H2,(H,19,22)(H,20,23)
InChIKeyLNIGIEWNGXHFSE-UHFFFAOYSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 121109699) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide is O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is LNIGIEWNGXHFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c16-15(17,18)10-20-14(23)13(22)19-9-11-1-5-21(6-2-11)12-3-7-24-8-4-12/h11-12H,1-10H2,(H,19,22)(H,20,23).
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 351.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 121109699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).