1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione

C10H17FN2O2 — CID 142485534

IUPAC1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(CCCF)C(=O)C1=O
InChIInChI=1S/C10H17FN2O2/c1-8(2)13-7-6-12(5-3-4-11)9(14)10(13)15/h8H,3-7H2,1-2H3
InChIKeyAGHWRGSUTJSWHX-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione

1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione (PubChem CID 142485534) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione
PubChem CID142485534
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(CCCF)C(=O)C1=O
InChIInChI=1S/C10H17FN2O2/c1-8(2)13-7-6-12(5-3-4-11)9(14)10(13)15/h8H,3-7H2,1-2H3
InChIKeyAGHWRGSUTJSWHX-UHFFFAOYSA-N
XLogP0.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione?
The IUPAC name of 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione (CID 142485534) is 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione?
The canonical SMILES for 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione is CC(C)N1CCN(CCCF)C(=O)C1=O.
What is the InChIKey of 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione?
The InChIKey is AGHWRGSUTJSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-8(2)13-7-6-12(5-3-4-11)9(14)10(13)15/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione?
1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione has a molecular weight of 216.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-propan-2-ylpiperazine-2,3-dione is sourced from PubChem (CID 142485534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).