3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one

C16H22N2O2 — CID 63270812

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
SMILESCC1(C)Cc2cc(CNC3CCCNC3=O)ccc2O1
InChIInChI=1S/C16H22N2O2/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-18-13-4-3-7-17-15(13)19/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyXFYFVAQDAXLAAQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds3

About 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one

3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one (PubChem CID 63270812) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
PubChem CID63270812
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
SMILESCC1(C)Cc2cc(CNC3CCCNC3=O)ccc2O1
InChIInChI=1S/C16H22N2O2/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-18-13-4-3-7-17-15(13)19/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyXFYFVAQDAXLAAQ-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one (CID 63270812) is 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one is CC1(C)Cc2cc(CNC3CCCNC3=O)ccc2O1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one?
The InChIKey is XFYFVAQDAXLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)9-12-8-11(5-6-14(12)20-16)10-18-13-4-3-7-17-15(13)19/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one?
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 63270812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).