[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C12H20F2N2O — CID 129498599

IUPAC[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC(F)(F)[C@H]1CCCN(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C12H20F2N2O/c1-12(13,14)10-3-2-6-16(8-10)11(17)9-4-5-15-7-9/h9-10,15H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyQFRQNCUUQWNVBJ-UWVGGRQHSA-N
MW246.30 g/mol
LogP1.49
Rot. Bonds2

About [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 129498599) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID129498599
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC(F)(F)[C@H]1CCCN(C(=O)[C@H]2CCNC2)C1
InChIInChI=1S/C12H20F2N2O/c1-12(13,14)10-3-2-6-16(8-10)11(17)9-4-5-15-7-9/h9-10,15H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyQFRQNCUUQWNVBJ-UWVGGRQHSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 129498599) is [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is CC(F)(F)[C@H]1CCCN(C(=O)[C@H]2CCNC2)C1.
What is the InChIKey of [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is QFRQNCUUQWNVBJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-12(13,14)10-3-2-6-16(8-10)11(17)9-4-5-15-7-9/h9-10,15H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 246.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129498599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).