N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide

C12H22FN3O2 — CID 59935062

IUPACN-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C12H22FN3O2/c1-2-11(17)14-5-3-12(18)16-9-7-15(6-4-13)8-10-16/h2-10H2,1H3,(H,14,17)
InChIKeyFEQQKRZYJPQZIQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.02
Rot. Bonds6

About N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide

N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide (PubChem CID 59935062) has the molecular formula C12H22FN3O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide
PubChem CID59935062
Molecular FormulaC12H22FN3O2
Molecular Weight259.32 g/mol
Exact Mass259.17
IUPAC NameN-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESCCC(=O)NCCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C12H22FN3O2/c1-2-11(17)14-5-3-12(18)16-9-7-15(6-4-13)8-10-16/h2-10H2,1H3,(H,14,17)
InChIKeyFEQQKRZYJPQZIQ-UHFFFAOYSA-N
XLogP0.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide (CID 59935062) is N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide is CCC(=O)NCCC(=O)N1CCN(CCF)CC1.
What is the InChIKey of N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is FEQQKRZYJPQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O2/c1-2-11(17)14-5-3-12(18)16-9-7-15(6-4-13)8-10-16/h2-10H2,1H3,(H,14,17).
What are the key properties of N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide?
N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 259.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 59935062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).