2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C12H20F3N3O2 — CID 47151568

IUPAC2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O2/c1-8-3-5-18(6-4-8)9(2)10(19)17-11(20)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyMZNBYXWQRRBGMS-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 47151568) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID47151568
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O2/c1-8-3-5-18(6-4-8)9(2)10(19)17-11(20)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyMZNBYXWQRRBGMS-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 47151568) is 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is CC1CCN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is MZNBYXWQRRBGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8-3-5-18(6-4-8)9(2)10(19)17-11(20)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 295.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 47151568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).