(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone

C20H28N4O — CID 20919421

IUPAC(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnn3c4c(cnc23)CCCCCC4)C1
InChIInChI=1S/C20H28N4O/c1-14-9-15(2)13-23(12-14)20(25)17-11-22-24-18-8-6-4-3-5-7-16(18)10-21-19(17)24/h10-11,14-15H,3-9,12-13H2,1-2H3
InChIKeyXLPCWDBVIXGQMD-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.51
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone (PubChem CID 20919421) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone
PubChem CID20919421
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnn3c4c(cnc23)CCCCCC4)C1
InChIInChI=1S/C20H28N4O/c1-14-9-15(2)13-23(12-14)20(25)17-11-22-24-18-8-6-4-3-5-7-16(18)10-21-19(17)24/h10-11,14-15H,3-9,12-13H2,1-2H3
InChIKeyXLPCWDBVIXGQMD-UHFFFAOYSA-N
XLogP3.51
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone (CID 20919421) is (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone is CC1CC(C)CN(C(=O)c2cnn3c4c(cnc23)CCCCCC4)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone?
The InChIKey is XLPCWDBVIXGQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-9-15(2)13-23(12-14)20(25)17-11-22-24-18-8-6-4-3-5-7-16(18)10-21-19(17)24/h10-11,14-15H,3-9,12-13H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone has a molecular weight of 340.47 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraen-5-yl)methanone is sourced from PubChem (CID 20919421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).