3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile

C24H23N5O — CID 58266612

IUPAC3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
SMILESCCN1CCC(Oc2c(C#N)ncc3[nH]c4ncc(-c5ccccc5)cc4c23)CC1
InChIInChI=1S/C24H23N5O/c1-2-29-10-8-18(9-11-29)30-23-20(13-25)26-15-21-22(23)19-12-17(14-27-24(19)28-21)16-6-4-3-5-7-16/h3-7,12,14-15,18H,2,8-11H2,1H3,(H,27,28)
InChIKeyAKTGYJCVQOVQFT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.51
Rot. Bonds4

About 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile

3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile (PubChem CID 58266612) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
PubChem CID58266612
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
SMILESCCN1CCC(Oc2c(C#N)ncc3[nH]c4ncc(-c5ccccc5)cc4c23)CC1
InChIInChI=1S/C24H23N5O/c1-2-29-10-8-18(9-11-29)30-23-20(13-25)26-15-21-22(23)19-12-17(14-27-24(19)28-21)16-6-4-3-5-7-16/h3-7,12,14-15,18H,2,8-11H2,1H3,(H,27,28)
InChIKeyAKTGYJCVQOVQFT-UHFFFAOYSA-N
XLogP4.51
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile (CID 58266612) is 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile is CCN1CCC(Oc2c(C#N)ncc3[nH]c4ncc(-c5ccccc5)cc4c23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile?
The InChIKey is AKTGYJCVQOVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-29-10-8-18(9-11-29)30-23-20(13-25)26-15-21-22(23)19-12-17(14-27-24(19)28-21)16-6-4-3-5-7-16/h3-7,12,14-15,18H,2,8-11H2,1H3,(H,27,28).
What are the key properties of 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile?
3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile has a molecular weight of 397.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile is sourced from PubChem (CID 58266612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).