1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

C13H22N6O2 — CID 64510102

IUPAC1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2ncn[nH]2)C1
InChIInChI=1S/C13H22N6O2/c1-17(2)13(21)19-6-4-5-10(7-19)12(20)18(3)8-11-14-9-15-16-11/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyCEQUCJRQJVSKGJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.16
Rot. Bonds3

About 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide

1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 64510102) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID64510102
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)Cc2ncn[nH]2)C1
InChIInChI=1S/C13H22N6O2/c1-17(2)13(21)19-6-4-5-10(7-19)12(20)18(3)8-11-14-9-15-16-11/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyCEQUCJRQJVSKGJ-UHFFFAOYSA-N
XLogP0.16
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide (CID 64510102) is 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)Cc2ncn[nH]2)C1.
What is the InChIKey of 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is CEQUCJRQJVSKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-17(2)13(21)19-6-4-5-10(7-19)12(20)18(3)8-11-14-9-15-16-11/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide?
1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-trimethyl-3-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 64510102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).