5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one

C11H15ClN2O2 — CID 64655499

IUPAC5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2ccc(Cl)o2)CCC1=O
InChIInChI=1S/C11H15ClN2O2/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyPNZDYWAFQKPJRX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.64
Rot. Bonds3

About 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one

5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64655499) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one
PubChem CID64655499
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one
SMILESCN1CC(NCc2ccc(Cl)o2)CCC1=O
InChIInChI=1S/C11H15ClN2O2/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3
InChIKeyPNZDYWAFQKPJRX-UHFFFAOYSA-N
XLogP1.64
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one (CID 64655499) is 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one is CN1CC(NCc2ccc(Cl)o2)CCC1=O.
What is the InChIKey of 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is PNZDYWAFQKPJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14-7-8(2-5-11(14)15)13-6-9-3-4-10(12)16-9/h3-4,8,13H,2,5-7H2,1H3.
What are the key properties of 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one?
5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 242.71 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorofuran-2-yl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64655499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).