2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3N5O2 — CID 111493636

IUPAC2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24F3N5O2/c1-4-18-13(22-7-5-21(6-8-22)11(2)23)19-9-12(24)20(3)10-14(15,16)17/h4-10H2,1-3H3,(H,18,19)
InChIKeyGETVIALRUIPWKZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.14
Rot. Bonds4

About 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111493636) has the molecular formula C14H24F3N5O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111493636
Molecular FormulaC14H24F3N5O2
Molecular Weight351.37 g/mol
Exact Mass351.19
IUPAC Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H24F3N5O2/c1-4-18-13(22-7-5-21(6-8-22)11(2)23)19-9-12(24)20(3)10-14(15,16)17/h4-10H2,1-3H3,(H,18,19)
InChIKeyGETVIALRUIPWKZ-UHFFFAOYSA-N
XLogP0.14
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111493636) is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GETVIALRUIPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N5O2/c1-4-18-13(22-7-5-21(6-8-22)11(2)23)19-9-12(24)20(3)10-14(15,16)17/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 351.37 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111493636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).