3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

C16H28N6O3 — CID 72895493

IUPAC3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCOCCn1cnnc1CN(C)C(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C16H28N6O3/c1-19(2)16(24)21-7-5-6-13(10-21)15(23)20(3)11-14-18-17-12-22(14)8-9-25-4/h12-13H,5-11H2,1-4H3
InChIKeyLRRRTGHABKUALS-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.28
Rot. Bonds6

About 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (PubChem CID 72895493) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
PubChem CID72895493
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC Name3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCOCCn1cnnc1CN(C)C(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C16H28N6O3/c1-19(2)16(24)21-7-5-6-13(10-21)15(23)20(3)11-14-18-17-12-22(14)8-9-25-4/h12-13H,5-11H2,1-4H3
InChIKeyLRRRTGHABKUALS-UHFFFAOYSA-N
XLogP0.28
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (CID 72895493) is 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is COCCn1cnnc1CN(C)C(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The InChIKey is LRRRTGHABKUALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3/c1-19(2)16(24)21-7-5-6-13(10-21)15(23)20(3)11-14-18-17-12-22(14)8-9-25-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 72895493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).