7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

C18H22N4O3 — CID 16670655

IUPAC7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21
InChIInChI=1S/C18H22N4O3/c1-3-21-14-9-12(2)25-17(14)13-10-19-22(18(24)16(13)21)11-15(23)20-7-5-4-6-8-20/h9-10H,3-8,11H2,1-2H3
InChIKeyFUERCYLFIYDITJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.29
Rot. Bonds3

About 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (PubChem CID 16670655) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

Molecular Properties

Compound Name7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
PubChem CID16670655
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21
InChIInChI=1S/C18H22N4O3/c1-3-21-14-9-12(2)25-17(14)13-10-19-22(18(24)16(13)21)11-15(23)20-7-5-4-6-8-20/h9-10H,3-8,11H2,1-2H3
InChIKeyFUERCYLFIYDITJ-UHFFFAOYSA-N
XLogP2.29
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The IUPAC name of 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (CID 16670655) is 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.
What is the SMILES notation for 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The canonical SMILES for 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is CCn1c2cc(C)oc2c2cnn(CC(=O)N3CCCCC3)c(=O)c21.
What is the InChIKey of 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The InChIKey is FUERCYLFIYDITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-21-14-9-12(2)25-17(14)13-10-19-22(18(24)16(13)21)11-15(23)20-7-5-4-6-8-20/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one has a molecular weight of 342.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-10-(2-oxo-2-piperidin-1-ylethyl)-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is sourced from PubChem (CID 16670655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).