3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide

C11H21F2N3O2 — CID 103206343

IUPAC3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCOCC(F)F)NCCN1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c12-10(13)9-18-8-1-11(17)15-4-7-16-5-2-14-3-6-16/h10,14H,1-9H2,(H,15,17)
InChIKeyQJXMXVUDIIJKFP-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.32
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 103206343) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID103206343
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
SMILESO=C(CCOCC(F)F)NCCN1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c12-10(13)9-18-8-1-11(17)15-4-7-16-5-2-14-3-6-16/h10,14H,1-9H2,(H,15,17)
InChIKeyQJXMXVUDIIJKFP-UHFFFAOYSA-N
XLogP-0.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
CID 119447035
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
11-(2-hydroxyethoxy)-N-(2-piperazin-1-ylethyl)undecanamide
CID 3148948
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 103206086

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide (CID 103206343) is 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide is O=C(CCOCC(F)F)NCCN1CCNCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is QJXMXVUDIIJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c12-10(13)9-18-8-1-11(17)15-4-7-16-5-2-14-3-6-16/h10,14H,1-9H2,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 265.30 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 103206343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).