1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione

C11H17FN2O2 — CID 153367984

IUPAC1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione
SMILESCC1(N2CCN(CCCF)C(=O)C2=O)CC1
InChIInChI=1S/C11H17FN2O2/c1-11(3-4-11)14-8-7-13(6-2-5-12)9(15)10(14)16/h2-8H2,1H3
InChIKeyCZNOBSSVYJZJTJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.57
Rot. Bonds4

About 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione

1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione (PubChem CID 153367984) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione
PubChem CID153367984
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione
SMILESCC1(N2CCN(CCCF)C(=O)C2=O)CC1
InChIInChI=1S/C11H17FN2O2/c1-11(3-4-11)14-8-7-13(6-2-5-12)9(15)10(14)16/h2-8H2,1H3
InChIKeyCZNOBSSVYJZJTJ-UHFFFAOYSA-N
XLogP0.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.57
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-(1-methylcyclopropyl)piperazine-2,3-dione?
The IUPAC name of 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione (CID 153367984) is 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione?
The canonical SMILES for 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione is CC1(N2CCN(CCCF)C(=O)C2=O)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione?
The InChIKey is CZNOBSSVYJZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-11(3-4-11)14-8-7-13(6-2-5-12)9(15)10(14)16/h2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione?
1-(3-fluoropropyl)-4-(1-methylcyclopropyl)piperazine-2,3-dione has a molecular weight of 228.27 g/mol, XLogP of 0.57, 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-(1-methylcyclopropyl)piperazine-2,3-dione is sourced from PubChem (CID 153367984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).