N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide

C16H26F3N3O2 — CID 86868055

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-5-20(11-12(2)3)15(24)13(4)21-6-8-22(9-7-21)14(23)10-16(17,18)19/h13H,2,5-11H2,1,3-4H3
InChIKeyOUMKFRDSKMZRKW-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide

N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide (PubChem CID 86868055) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide
PubChem CID86868055
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c1-5-20(11-12(2)3)15(24)13(4)21-6-8-22(9-7-21)14(23)10-16(17,18)19/h13H,2,5-11H2,1,3-4H3
InChIKeyOUMKFRDSKMZRKW-UHFFFAOYSA-N
XLogP1.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide (CID 86868055) is N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide is C=C(C)CN(CC)C(=O)C(C)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide?
The InChIKey is OUMKFRDSKMZRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-5-20(11-12(2)3)15(24)13(4)21-6-8-22(9-7-21)14(23)10-16(17,18)19/h13H,2,5-11H2,1,3-4H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide has a molecular weight of 349.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86868055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).