4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile

C18H27N7O — CID 10473538

IUPAC4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C18H27N7O/c19-14-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-4-15(5-9-24)23-6-2-1-3-7-23/h15H,1-13H2
InChIKeyURMHHFDWPPZHIV-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.03
Rot. Bonds3

About 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile

4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile (PubChem CID 10473538) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
PubChem CID10473538
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C18H27N7O/c19-14-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-4-15(5-9-24)23-6-2-1-3-7-23/h15H,1-13H2
InChIKeyURMHHFDWPPZHIV-UHFFFAOYSA-N
XLogP1.03
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-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 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile (CID 10473538) is 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
The InChIKey is URMHHFDWPPZHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c19-14-16-20-17(22-18(21-16)25-10-12-26-13-11-25)24-8-4-15(5-9-24)23-6-2-1-3-7-23/h15H,1-13H2.
What are the key properties of 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile?
4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(4-piperidin-1-ylpiperidin-1-yl)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 10473538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).