2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone

C11H14F2N4O — CID 112676097

IUPAC2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
SMILESO=C(CNc1ncc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H14F2N4O/c12-8-5-9(13)11(15-6-8)16-7-10(18)17-3-1-14-2-4-17/h5-6,14H,1-4,7H2,(H,15,16)
InChIKeyZQCBNPJOCXGFJX-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.20
Rot. Bonds3

About 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone

2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone (PubChem CID 112676097) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
PubChem CID112676097
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone
SMILESO=C(CNc1ncc(F)cc1F)N1CCNCC1
InChIInChI=1S/C11H14F2N4O/c12-8-5-9(13)11(15-6-8)16-7-10(18)17-3-1-14-2-4-17/h5-6,14H,1-4,7H2,(H,15,16)
InChIKeyZQCBNPJOCXGFJX-UHFFFAOYSA-N
XLogP0.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone (CID 112676097) is 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone is O=C(CNc1ncc(F)cc1F)N1CCNCC1.
What is the InChIKey of 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is ZQCBNPJOCXGFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c12-8-5-9(13)11(15-6-8)16-7-10(18)17-3-1-14-2-4-17/h5-6,14H,1-4,7H2,(H,15,16).
What are the key properties of 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone?
2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 256.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-pyridinyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 112676097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).