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

C17H30F2N2O2 — CID 172511134

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C17H30F2N2O2/c1-12(2)15-6-7-20(11-17(15,18)19)10-16(22)21-8-5-14(9-21)23-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyTVUKTHUGVZWTLQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.63
Rot. Bonds5

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

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 172511134) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID172511134
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)OC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)C1
InChIInChI=1S/C17H30F2N2O2/c1-12(2)15-6-7-20(11-17(15,18)19)10-16(22)21-8-5-14(9-21)23-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyTVUKTHUGVZWTLQ-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.63
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-propan-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone (CID 172511134) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone is CC(C)OC1CCN(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-propan-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is TVUKTHUGVZWTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c1-12(2)15-6-7-20(11-17(15,18)19)10-16(22)21-8-5-14(9-21)23-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.63, 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-propan-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 172511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).