5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one

C15H19ClN2O2 — CID 66393969

IUPAC5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCC2Cc3cc(Cl)ccc3O2)CCC1=O
InChIInChI=1S/C15H19ClN2O2/c1-18-9-12(3-5-15(18)19)17-8-13-7-10-6-11(16)2-4-14(10)20-13/h2,4,6,12-13,17H,3,5,7-9H2,1H3
InChIKeySYQUCQUTVAQRNF-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.85
Rot. Bonds3

About 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one

5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one (PubChem CID 66393969) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
PubChem CID66393969
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCC2Cc3cc(Cl)ccc3O2)CCC1=O
InChIInChI=1S/C15H19ClN2O2/c1-18-9-12(3-5-15(18)19)17-8-13-7-10-6-11(16)2-4-14(10)20-13/h2,4,6,12-13,17H,3,5,7-9H2,1H3
InChIKeySYQUCQUTVAQRNF-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one (CID 66393969) is 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one is CN1CC(NCC2Cc3cc(Cl)ccc3O2)CCC1=O.
What is the InChIKey of 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is SYQUCQUTVAQRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-18-9-12(3-5-15(18)19)17-8-13-7-10-6-11(16)2-4-14(10)20-13/h2,4,6,12-13,17H,3,5,7-9H2,1H3.
What are the key properties of 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 66393969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).