1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one

C22H38N6O — CID 20768143

IUPAC1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCc1nc(C)nc(N(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C2CCCCC2)n1
InChIInChI=1S/C22H38N6O/c1-16-23-17(2)25-20(24-16)28(18-11-9-8-10-12-18)14-13-27-15-21(3,4)26(7)22(5,6)19(27)29/h18H,8-15H2,1-7H3
InChIKeyNGSIGXMDVCJXEB-UHFFFAOYSA-N
MW402.59 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one

1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (PubChem CID 20768143) has the molecular formula C22H38N6O and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
PubChem CID20768143
Molecular FormulaC22H38N6O
Molecular Weight402.59 g/mol
Exact Mass402.31
IUPAC Name1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
SMILESCc1nc(C)nc(N(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C2CCCCC2)n1
InChIInChI=1S/C22H38N6O/c1-16-23-17(2)25-20(24-16)28(18-11-9-8-10-12-18)14-13-27-15-21(3,4)26(7)22(5,6)19(27)29/h18H,8-15H2,1-7H3
InChIKeyNGSIGXMDVCJXEB-UHFFFAOYSA-N
XLogP2.96
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one 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 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The IUPAC name of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one (CID 20768143) is 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one.
What is the SMILES notation for 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The canonical SMILES for 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is Cc1nc(C)nc(N(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C2CCCCC2)n1.
What is the InChIKey of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
The InChIKey is NGSIGXMDVCJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O/c1-16-23-17(2)25-20(24-16)28(18-11-9-8-10-12-18)14-13-27-15-21(3,4)26(7)22(5,6)19(27)29/h18H,8-15H2,1-7H3.
What are the key properties of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one?
1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one has a molecular weight of 402.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one is sourced from PubChem (CID 20768143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).