2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide

C17H22FN3O2 — CID 75408302

IUPAC2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c1-13(17(19)23)20-8-10-21(11-9-20)16(22)7-3-5-14-4-2-6-15(18)12-14/h2-6,12-13H,7-11H2,1H3,(H2,19,23)/b5-3+
InChIKeyNQABRUNKGHLYMX-HWKANZROSA-N
MW319.38 g/mol
LogP1.25
Rot. Bonds5

About 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide

2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide (PubChem CID 75408302) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide
PubChem CID75408302
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C17H22FN3O2/c1-13(17(19)23)20-8-10-21(11-9-20)16(22)7-3-5-14-4-2-6-15(18)12-14/h2-6,12-13H,7-11H2,1H3,(H2,19,23)/b5-3+
InChIKeyNQABRUNKGHLYMX-HWKANZROSA-N
XLogP1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide (CID 75408302) is 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)C/C=C/c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide?
The InChIKey is NQABRUNKGHLYMX-HWKANZROSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-13(17(19)23)20-8-10-21(11-9-20)16(22)7-3-5-14-4-2-6-15(18)12-14/h2-6,12-13H,7-11H2,1H3,(H2,19,23)/b5-3+.
What are the key properties of 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide?
2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide has a molecular weight of 319.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 75408302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).