N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide

C14H24F3N3O2 — CID 60567863

IUPACN-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-2-4-18-13(21)11-20-8-6-19(7-9-20)5-3-10-22-12-14(15,16)17/h2H,1,3-12H2,(H,18,21)
InChIKeyRITHSOZMQFHRFF-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.88
Rot. Bonds9

About N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide

N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 60567863) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
PubChem CID60567863
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-2-4-18-13(21)11-20-8-6-19(7-9-20)5-3-10-22-12-14(15,16)17/h2H,1,3-12H2,(H,18,21)
InChIKeyRITHSOZMQFHRFF-UHFFFAOYSA-N
XLogP0.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2291499
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47810065
N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 47810072
N-prop-2-enyl-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
CID 60416257
N-(3-ethoxypropyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60946901
2-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone
CID 61491632
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazin-2-one
CID 62310214
N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62492486
2,2,2-Trifluoroethyl 4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazine-1-carboxylate
CID 63000757
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64874240
1-(4-Prop-2-enylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79260833
N-(3-ethoxypropyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79279417

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (CID 60567863) is N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is RITHSOZMQFHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-2-4-18-13(21)11-20-8-6-19(7-9-20)5-3-10-22-12-14(15,16)17/h2H,1,3-12H2,(H,18,21).
What are the key properties of N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60567863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).