2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C16H26FN3O2 — CID 72793666

IUPAC2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCCC1
InChIInChI=1S/C16H26FN3O2/c17-13-6-10-20(11-13)16(22)14-5-4-9-19(14)12-15(21)18-7-2-1-3-8-18/h13-14H,1-12H2
InChIKeyXALGUEWIKOCUNL-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.03
Rot. Bonds3

About 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 72793666) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID72793666
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCCC1
InChIInChI=1S/C16H26FN3O2/c17-13-6-10-20(11-13)16(22)14-5-4-9-19(14)12-15(21)18-7-2-1-3-8-18/h13-14H,1-12H2
InChIKeyXALGUEWIKOCUNL-UHFFFAOYSA-N
XLogP1.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 72793666) is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCCC1.
What is the InChIKey of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is XALGUEWIKOCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c17-13-6-10-20(11-13)16(22)14-5-4-9-19(14)12-15(21)18-7-2-1-3-8-18/h13-14H,1-12H2.
What are the key properties of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 311.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 72793666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).