2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one

C14H20N2O2 — CID 82383350

IUPAC2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one
SMILESCN1CCCc2oc(C3CC(=O)CCN3)cc2C1
InChIInChI=1S/C14H20N2O2/c1-16-6-2-3-13-10(9-16)7-14(18-13)12-8-11(17)4-5-15-12/h7,12,15H,2-6,8-9H2,1H3
InChIKeyHPXUKFUQECXGFN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds1

About 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one

2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one (PubChem CID 82383350) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one
PubChem CID82383350
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one
SMILESCN1CCCc2oc(C3CC(=O)CCN3)cc2C1
InChIInChI=1S/C14H20N2O2/c1-16-6-2-3-13-10(9-16)7-14(18-13)12-8-11(17)4-5-15-12/h7,12,15H,2-6,8-9H2,1H3
InChIKeyHPXUKFUQECXGFN-UHFFFAOYSA-N
XLogP1.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one?
The IUPAC name of 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one (CID 82383350) is 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one.
What is the SMILES notation for 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one?
The canonical SMILES for 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one is CN1CCCc2oc(C3CC(=O)CCN3)cc2C1.
What is the InChIKey of 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one?
The InChIKey is HPXUKFUQECXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-6-2-3-13-10(9-16)7-14(18-13)12-8-11(17)4-5-15-12/h7,12,15H,2-6,8-9H2,1H3.
What are the key properties of 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one?
2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4,6,7,8-tetrahydrofuro[3,2-c]azepin-2-yl)piperidin-4-one is sourced from PubChem (CID 82383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).