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

C15H25F3N4O3 — CID 47810072

IUPACN-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H25F3N4O3/c1-2-4-19-14(24)20-13(23)11-22-8-6-21(7-9-22)5-3-10-25-12-15(16,17)18/h2H,1,3-12H2,(H2,19,20,23,24)
InChIKeyLUVQPFNBXCRCAP-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.58
Rot. Bonds9

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

N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 47810072) has the molecular formula C15H25F3N4O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
PubChem CID47810072
Molecular FormulaC15H25F3N4O3
Molecular Weight366.38 g/mol
Exact Mass366.19
IUPAC NameN-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H25F3N4O3/c1-2-4-19-14(24)20-13(23)11-22-8-6-21(7-9-22)5-3-10-25-12-15(16,17)18/h2H,1,3-12H2,(H2,19,20,23,24)
InChIKeyLUVQPFNBXCRCAP-UHFFFAOYSA-N
XLogP0.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(butylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 48441094
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-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 60567863
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-prop-2-enyl-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133598960
N-[2-(methylamino)-2-oxoethyl]-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133598974
N-[2-(ethylamino)-2-oxoethyl]-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 133603276
2-morpholin-4-yl-N-(prop-2-enylcarbamoyl)acetamide
CID 27135346
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
CID 55432092
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 79736374

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide (CID 47810072) is N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is C=CCNC(=O)NC(=O)CN1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is LUVQPFNBXCRCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O3/c1-2-4-19-14(24)20-13(23)11-22-8-6-21(7-9-22)5-3-10-25-12-15(16,17)18/h2H,1,3-12H2,(H2,19,20,23,24).
What are the key properties of N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide?
N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylcarbamoyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 47810072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).