4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C15H17N3O3 — CID 103763565

IUPAC4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H17N3O3/c19-14-10-12(3-4-16-14)15(20)18-7-5-17(6-8-18)11-13-2-1-9-21-13/h1-4,9-10H,5-8,11H2,(H,16,19)
InChIKeyMMKGKDFEHJIODW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.93
Rot. Bonds3

About 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 103763565) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID103763565
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H17N3O3/c19-14-10-12(3-4-16-14)15(20)18-7-5-17(6-8-18)11-13-2-1-9-21-13/h1-4,9-10H,5-8,11H2,(H,16,19)
InChIKeyMMKGKDFEHJIODW-UHFFFAOYSA-N
XLogP0.93
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
(3,5-dinitrophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572404
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-[[(S)-methylsulfinyl]methyl]phenyl]methanone
CID 94536612
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249343
(5-bromo-3-pyridinyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 5003299
(3-bromo-4-methoxyphenyl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3549117

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 103763565) is 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is MMKGKDFEHJIODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-10-12(3-4-16-14)15(20)18-7-5-17(6-8-18)11-13-2-1-9-21-13/h1-4,9-10H,5-8,11H2,(H,16,19).
What are the key properties of 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 103763565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).