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

C21H36N6O — CID 20768144

IUPAC1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCc1nc(C)nc(N(CCN2CC(C)(C)NC(C)(C)C2=O)C2CCCCC2)n1
InChIInChI=1S/C21H36N6O/c1-15-22-16(2)24-19(23-15)27(17-10-8-7-9-11-17)13-12-26-14-20(3,4)25-21(5,6)18(26)28/h17,25H,7-14H2,1-6H3
InChIKeyLEBUGEZBBDDAHS-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.62
Rot. Bonds5

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

1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 20768144) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID20768144
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCc1nc(C)nc(N(CCN2CC(C)(C)NC(C)(C)C2=O)C2CCCCC2)n1
InChIInChI=1S/C21H36N6O/c1-15-22-16(2)24-19(23-15)27(17-10-8-7-9-11-17)13-12-26-14-20(3,4)25-21(5,6)18(26)28/h17,25H,7-14H2,1-6H3
InChIKeyLEBUGEZBBDDAHS-UHFFFAOYSA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one (CID 20768144) is 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one is Cc1nc(C)nc(N(CCN2CC(C)(C)NC(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]-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is LEBUGEZBBDDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-15-22-16(2)24-19(23-15)27(17-10-8-7-9-11-17)13-12-26-14-20(3,4)25-21(5,6)18(26)28/h17,25H,7-14H2,1-6H3.
What are the key properties of 1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
1-[2-[cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 388.56 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 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]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 20768144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).