2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone

C16H28F2N2O2 — CID 156799174

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2O2/c1-4-22-13-5-8-20(9-13)15(21)10-19-7-6-14(12(2)3)16(17,18)11-19/h12-14H,4-11H2,1-3H3
InChIKeyQFHUJKHSLMZCNT-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.24
Rot. Bonds5

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone (PubChem CID 156799174) has the molecular formula C16H28F2N2O2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
PubChem CID156799174
Molecular FormulaC16H28F2N2O2
Molecular Weight318.41 g/mol
Exact Mass318.21
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
SMILESCCOC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2O2/c1-4-22-13-5-8-20(9-13)15(21)10-19-7-6-14(12(2)3)16(17,18)11-19/h12-14H,4-11H2,1-3H3
InChIKeyQFHUJKHSLMZCNT-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone (CID 156799174) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone is CCOC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone?
The InChIKey is QFHUJKHSLMZCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O2/c1-4-22-13-5-8-20(9-13)15(21)10-19-7-6-14(12(2)3)16(17,18)11-19/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone has a molecular weight of 318.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 156799174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).