(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone

C16H28FN3O — CID 72793668

IUPAC(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CCN1CCCCC1)N1CCC(F)C1
InChIInChI=1S/C16H28FN3O/c17-14-6-10-20(13-14)16(21)15-5-4-9-19(15)12-11-18-7-2-1-3-8-18/h14-15H,1-13H2
InChIKeyDUXCPASLJOMBMV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.51
Rot. Bonds4

About (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone

(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone (PubChem CID 72793668) has the molecular formula C16H28FN3O and a molecular weight of 297.42 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone
PubChem CID72793668
Molecular FormulaC16H28FN3O
Molecular Weight297.42 g/mol
Exact Mass297.22
IUPAC Name(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1CCN1CCCCC1)N1CCC(F)C1
InChIInChI=1S/C16H28FN3O/c17-14-6-10-20(13-14)16(21)15-5-4-9-19(15)12-11-18-7-2-1-3-8-18/h14-15H,1-13H2
InChIKeyDUXCPASLJOMBMV-UHFFFAOYSA-N
XLogP1.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone (CID 72793668) is (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1CCN1CCCCC1)N1CCC(F)C1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone?
The InChIKey is DUXCPASLJOMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3O/c17-14-6-10-20(13-14)16(21)15-5-4-9-19(15)12-11-18-7-2-1-3-8-18/h14-15H,1-13H2.
What are the key properties of (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone?
(3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone has a molecular weight of 297.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-1-yl)-[1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 72793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).