[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

C15H23N3O2 — CID 61175906

IUPAC[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccco1)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-12(14-5-3-11-20-14)18-8-2-4-13(18)15(19)17-9-6-16-7-10-17/h3,5,11-13,16H,2,4,6-10H2,1H3
InChIKeyHOMULDFQJGPBAA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds3

About [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61175906) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61175906
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(c1ccco1)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-12(14-5-3-11-20-14)18-8-2-4-13(18)15(19)17-9-6-16-7-10-17/h3,5,11-13,16H,2,4,6-10H2,1H3
InChIKeyHOMULDFQJGPBAA-UHFFFAOYSA-N
XLogP1.24
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61175906) is [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is CC(c1ccco1)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is HOMULDFQJGPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(14-5-3-11-20-14)18-8-2-4-13(18)15(19)17-9-6-16-7-10-17/h3,5,11-13,16H,2,4,6-10H2,1H3.
What are the key properties of [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 277.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(furan-2-yl)ethyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61175906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).