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'}

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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).