1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C13H22F2N2O — CID 66580672

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1
InChIInChI=1S/C13H22F2N2O/c1-11-3-2-6-16(9-11)7-4-12(18)17-8-5-13(14,15)10-17/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyPMHBQPYLAVAEIF-LLVKDONJSA-N
MW260.33 g/mol
LogP1.98
Rot. Bonds3

About 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one

1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 66580672) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID66580672
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1
InChIInChI=1S/C13H22F2N2O/c1-11-3-2-6-16(9-11)7-4-12(18)17-8-5-13(14,15)10-17/h11H,2-10H2,1H3/t11-/m1/s1
InChIKeyPMHBQPYLAVAEIF-LLVKDONJSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one 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 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 66580672) is 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(CCC(=O)N2CCC(F)(F)C2)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is PMHBQPYLAVAEIF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-11-3-2-6-16(9-11)7-4-12(18)17-8-5-13(14,15)10-17/h11H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 260.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 66580672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).