[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone

C15H18N3O2+ — CID 3684711

IUPAC[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[NH+](Cc2ccco2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(13-3-1-5-16-11-13)18-8-6-17(7-9-18)12-14-4-2-10-20-14/h1-5,10-11H,6-9,12H2/p+1
InChIKeyXBEYKICZHGBEIU-UHFFFAOYSA-O
MW272.33 g/mol
LogP0.22
Rot. Bonds3

About [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone

[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone (PubChem CID 3684711) has the molecular formula C15H18N3O2+ and a molecular weight of 272.33 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
PubChem CID3684711
Molecular FormulaC15H18N3O2+
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC[NH+](Cc2ccco2)CC1
InChIInChI=1S/C15H17N3O2/c19-15(13-3-1-5-16-11-13)18-8-6-17(7-9-18)12-14-4-2-10-20-14/h1-5,10-11H,6-9,12H2/p+1
InChIKeyXBEYKICZHGBEIU-UHFFFAOYSA-O
XLogP0.22
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 4742783
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone
CID 3318786
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 7027549
(3-chlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 4745404
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone (CID 3684711) is [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC[NH+](Cc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XBEYKICZHGBEIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N3O2/c19-15(13-3-1-5-16-11-13)18-8-6-17(7-9-18)12-14-4-2-10-20-14/h1-5,10-11H,6-9,12H2/p+1.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone?
[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone has a molecular weight of 272.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3684711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).