6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione

C15H25FN2O2 — CID 81110148

IUPAC6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(C2CC2)N(CCCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-4-15(5-2)13(20)18(10-6-9-16)14(3,11-7-8-11)12(19)17-15/h11H,4-10H2,1-3H3,(H,17,19)
InChIKeyQIELYUJHKPVOHB-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.03
Rot. Bonds6

About 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione

6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione (PubChem CID 81110148) has the molecular formula C15H25FN2O2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
PubChem CID81110148
Molecular FormulaC15H25FN2O2
Molecular Weight284.37 g/mol
Exact Mass284.19
IUPAC Name6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(C2CC2)N(CCCF)C1=O
InChIInChI=1S/C15H25FN2O2/c1-4-15(5-2)13(20)18(10-6-9-16)14(3,11-7-8-11)12(19)17-15/h11H,4-10H2,1-3H3,(H,17,19)
InChIKeyQIELYUJHKPVOHB-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione (CID 81110148) is 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)(C2CC2)N(CCCF)C1=O.
What is the InChIKey of 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione?
The InChIKey is QIELYUJHKPVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-4-15(5-2)13(20)18(10-6-9-16)14(3,11-7-8-11)12(19)17-15/h11H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione?
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione has a molecular weight of 284.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 81110148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).