[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone

C15H23N3O3 — CID 61213622

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C15H23N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h2-3,8,13-14,16H,4-7,9-11H2,1H3
InChIKeyZBISKNZILHIXNP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.30
Rot. Bonds4

About [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 61213622) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID61213622
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C15H23N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h2-3,8,13-14,16H,4-7,9-11H2,1H3
InChIKeyZBISKNZILHIXNP-UHFFFAOYSA-N
XLogP0.30
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone (CID 61213622) is [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)N2CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is ZBISKNZILHIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h2-3,8,13-14,16H,4-7,9-11H2,1H3.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 61213622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).