2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H28FN5O2 — CID 72793650

IUPAC2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H28FN5O2/c21-16-6-9-26(14-16)20(28)17-4-3-8-25(17)15-19(27)24-12-10-23(11-13-24)18-5-1-2-7-22-18/h1-2,5,7,16-17H,3-4,6,8-15H2
InChIKeyIKKNHQBNFIHGCU-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.76
Rot. Bonds4

About 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 72793650) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID72793650
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H28FN5O2/c21-16-6-9-26(14-16)20(28)17-4-3-8-25(17)15-19(27)24-12-10-23(11-13-24)18-5-1-2-7-22-18/h1-2,5,7,16-17H,3-4,6,8-15H2
InChIKeyIKKNHQBNFIHGCU-UHFFFAOYSA-N
XLogP0.76
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 72793650) is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IKKNHQBNFIHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O2/c21-16-6-9-26(14-16)20(28)17-4-3-8-25(17)15-19(27)24-12-10-23(11-13-24)18-5-1-2-7-22-18/h1-2,5,7,16-17H,3-4,6,8-15H2.
What are the key properties of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 389.48 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 72793650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).