1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide

C13H22N6O2 — CID 71892913

IUPAC1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C(=O)NC)CC1
InChIInChI=1S/C13H22N6O2/c1-3-18-9-16-17-11(18)8-15-13(21)19-6-4-10(5-7-19)12(20)14-2/h9-10H,3-8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyJOOLYTWVLZEWNJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.03
Rot. Bonds4

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

1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide (PubChem CID 71892913) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
PubChem CID71892913
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(C(=O)NC)CC1
InChIInChI=1S/C13H22N6O2/c1-3-18-9-16-17-11(18)8-15-13(21)19-6-4-10(5-7-19)12(20)14-2/h9-10H,3-8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyJOOLYTWVLZEWNJ-UHFFFAOYSA-N
XLogP-0.03
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide (CID 71892913) is 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide is CCn1cnnc1CNC(=O)N1CCC(C(=O)NC)CC1.
What is the InChIKey of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide?
The InChIKey is JOOLYTWVLZEWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-18-9-16-17-11(18)8-15-13(21)19-6-4-10(5-7-19)12(20)14-2/h9-10H,3-8H2,1-2H3,(H,14,20)(H,15,21).
What are the key properties of 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide?
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 71892913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).