(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one

C11H17FN2O2 — CID 164629546

IUPAC(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one
SMILESC[C@H]1CN(C(=O)C2(CF)CCC2)CC(=O)N1
InChIInChI=1S/C11H17FN2O2/c1-8-5-14(6-9(15)13-8)10(16)11(7-12)3-2-4-11/h8H,2-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyGKVHQXKDUKTKGG-QMMMGPOBSA-N
MW228.27 g/mol
LogP0.47
Rot. Bonds2

About (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one

(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one (PubChem CID 164629546) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one
PubChem CID164629546
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one
SMILESC[C@H]1CN(C(=O)C2(CF)CCC2)CC(=O)N1
InChIInChI=1S/C11H17FN2O2/c1-8-5-14(6-9(15)13-8)10(16)11(7-12)3-2-4-11/h8H,2-7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyGKVHQXKDUKTKGG-QMMMGPOBSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one (CID 164629546) is (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one is C[C@H]1CN(C(=O)C2(CF)CCC2)CC(=O)N1.
What is the InChIKey of (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one?
The InChIKey is GKVHQXKDUKTKGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-8-5-14(6-9(15)13-8)10(16)11(7-12)3-2-4-11/h8H,2-7H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one?
(6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one has a molecular weight of 228.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[1-(fluoromethyl)cyclobutanecarbonyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 164629546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).