3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one

C15H20N4O2 — CID 146108009

IUPAC3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCCC(n2ccnn2)C1)c1ccco1
InChIInChI=1S/C15H20N4O2/c1-12(14-5-3-9-21-14)10-15(20)18-7-2-4-13(11-18)19-8-6-16-17-19/h3,5-6,8-9,12-13H,2,4,7,10-11H2,1H3
InChIKeyVSEMMGOCFLABPX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.23
Rot. Bonds4

About 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one

3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 146108009) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
PubChem CID146108009
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCCC(n2ccnn2)C1)c1ccco1
InChIInChI=1S/C15H20N4O2/c1-12(14-5-3-9-21-14)10-15(20)18-7-2-4-13(11-18)19-8-6-16-17-19/h3,5-6,8-9,12-13H,2,4,7,10-11H2,1H3
InChIKeyVSEMMGOCFLABPX-UHFFFAOYSA-N
XLogP2.23
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 121150939
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150838
(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95273779
2-benzylsulfanyl-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877292
(5-benzyl-1H-pyrrol-2-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 136565445
3-bromo-6-methyl-5-[3-(triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 154737493
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99987917
3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 121150849
2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150913
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158691
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one (CID 146108009) is 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one is CC(CC(=O)N1CCCC(n2ccnn2)C1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is VSEMMGOCFLABPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12(14-5-3-9-21-14)10-15(20)18-7-2-4-13(11-18)19-8-6-16-17-19/h3,5-6,8-9,12-13H,2,4,7,10-11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one?
3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 288.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[3-(triazol-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 146108009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).