3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide

C14H25N5O2 — CID 91905135

IUPAC3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC(c2nn(C)c(=O)n2CC)C1
InChIInChI=1S/C14H25N5O2/c1-4-8-15-13(20)18-9-6-7-11(10-18)12-16-17(3)14(21)19(12)5-2/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyROJWCKBJMTVGDA-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.90
Rot. Bonds4

About 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide

3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide (PubChem CID 91905135) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
PubChem CID91905135
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC(c2nn(C)c(=O)n2CC)C1
InChIInChI=1S/C14H25N5O2/c1-4-8-15-13(20)18-9-6-7-11(10-18)12-16-17(3)14(21)19(12)5-2/h11H,4-10H2,1-3H3,(H,15,20)
InChIKeyROJWCKBJMTVGDA-UHFFFAOYSA-N
XLogP0.90
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide (CID 91905135) is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCCC(c2nn(C)c(=O)n2CC)C1.
What is the InChIKey of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The InChIKey is ROJWCKBJMTVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-8-15-13(20)18-9-6-7-11(10-18)12-16-17(3)14(21)19(12)5-2/h11H,4-10H2,1-3H3,(H,15,20).
What are the key properties of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91905135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).