N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

C11H16F3N3O2 — CID 62492486

IUPACN-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2/c1-2-3-15-9(18)8-16-4-6-17(7-5-16)10(19)11(12,13)14/h2H,1,3-8H2,(H,15,18)
InChIKeyOMTSCEOMRMZFLL-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.00
Rot. Bonds4

About N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (PubChem CID 62492486) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
PubChem CID62492486
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2/c1-2-3-15-9(18)8-16-4-6-17(7-5-16)10(19)11(12,13)14/h2H,1,3-8H2,(H,15,18)
InChIKeyOMTSCEOMRMZFLL-UHFFFAOYSA-N
XLogP-0.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
N-(2-oxo-2-piperazin-1-ylethyl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 176225889
4-[2-oxo-2-(prop-2-enylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 53569249
N-(2,2,2-trifluoroethylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 55421440
N-prop-2-enyl-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
CID 60416257
N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 60567863
2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647098
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 60948148
2,2,2-Trifluoroethyl 4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazine-1-carboxylate
CID 63000757
N-(2,2,2-trifluoroethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 78805032
N,N-bis(prop-2-enyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914688

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (CID 62492486) is N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The InChIKey is OMTSCEOMRMZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-2-3-15-9(18)8-16-4-6-17(7-5-16)10(19)11(12,13)14/h2H,1,3-8H2,(H,15,18).
What are the key properties of N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide has a molecular weight of 279.26 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 62492486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).