N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide

C12H21F3N4O2 — CID 78827776

IUPACN-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O2/c1-3-16-11(21)19-6-4-18(5-7-19)9(2)10(20)17-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyNOCWZSBCGGHHLE-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.40
Rot. Bonds4

About N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide

N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 78827776) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID78827776
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC NameN-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O2/c1-3-16-11(21)19-6-4-18(5-7-19)9(2)10(20)17-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyNOCWZSBCGGHHLE-UHFFFAOYSA-N
XLogP0.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide (CID 78827776) is N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide is CCNC(=O)N1CCN(C(C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is NOCWZSBCGGHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-3-16-11(21)19-6-4-18(5-7-19)9(2)10(20)17-8-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide?
N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 78827776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).