(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one

C12H19FN2O2 — CID 163459439

IUPAC(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC1(C)C[C@H](F)CN(C(=O)[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C12H19FN2O2/c1-12(2)5-8(13)6-15(7-12)11(17)9-3-4-10(16)14-9/h8-9H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyBNIINMNXTRXHJD-IUCAKERBSA-N
MW242.29 g/mol
LogP0.86
Rot. Bonds1

About (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 163459439) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID163459439
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC1(C)C[C@H](F)CN(C(=O)[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C12H19FN2O2/c1-12(2)5-8(13)6-15(7-12)11(17)9-3-4-10(16)14-9/h8-9H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyBNIINMNXTRXHJD-IUCAKERBSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 163459439) is (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one is CC1(C)C[C@H](F)CN(C(=O)[C@@H]2CCC(=O)N2)C1.
What is the InChIKey of (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BNIINMNXTRXHJD-IUCAKERBSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-12(2)5-8(13)6-15(7-12)11(17)9-3-4-10(16)14-9/h8-9H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1.
What are the key properties of (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 242.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5S)-5-fluoro-3,3-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 163459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).