5-(1-benzofuran-3-ylmethylamino)piperidin-2-one

C14H16N2O2 — CID 80700614

IUPAC5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2coc3ccccc23)CN1
InChIInChI=1S/C14H16N2O2/c17-14-6-5-11(8-16-14)15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyIWKRUCYPYVQQCC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds3

About 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one

5-(1-benzofuran-3-ylmethylamino)piperidin-2-one (PubChem CID 80700614) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
PubChem CID80700614
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2coc3ccccc23)CN1
InChIInChI=1S/C14H16N2O2/c17-14-6-5-11(8-16-14)15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyIWKRUCYPYVQQCC-UHFFFAOYSA-N
XLogP1.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
CID 63378552
5-(2-phenylethylamino)piperidin-2-one
CID 63661902

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one?
The IUPAC name of 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one (CID 80700614) is 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one?
The canonical SMILES for 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one is O=C1CCC(NCc2coc3ccccc23)CN1.
What is the InChIKey of 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one?
The InChIKey is IWKRUCYPYVQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-6-5-11(8-16-14)15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17).
What are the key properties of 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one?
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 80700614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).