N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C14H18F3N5O2 — CID 71786355

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)9-21-13(24)12(23)20-7-10-1-5-22(6-2-10)11-8-18-3-4-19-11/h3-4,8,10H,1-2,5-7,9H2,(H,20,23)(H,21,24)
InChIKeyBNPBAJNYDAECQG-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.49
Rot. Bonds4

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

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 71786355) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID71786355
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C14H18F3N5O2/c15-14(16,17)9-21-13(24)12(23)20-7-10-1-5-22(6-2-10)11-8-18-3-4-19-11/h3-4,8,10H,1-2,5-7,9H2,(H,20,23)(H,21,24)
InChIKeyBNPBAJNYDAECQG-UHFFFAOYSA-N
XLogP0.49
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 71786355) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is O=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is BNPBAJNYDAECQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c15-14(16,17)9-21-13(24)12(23)20-7-10-1-5-22(6-2-10)11-8-18-3-4-19-11/h3-4,8,10H,1-2,5-7,9H2,(H,20,23)(H,21,24).
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 345.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 71786355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).