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

C14H25N5O2 — CID 110196076

IUPAC3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)NC(C)C)C2)nn(C)c1=O
InChIInChI=1S/C14H25N5O2/c1-5-19-12(16-17(4)14(19)21)11-7-6-8-18(9-11)13(20)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyMNMFOUAABIURQF-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.90
Rot. Bonds3

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

3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110196076) 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-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110196076
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-propan-2-ylpiperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)NC(C)C)C2)nn(C)c1=O
InChIInChI=1S/C14H25N5O2/c1-5-19-12(16-17(4)14(19)21)11-7-6-8-18(9-11)13(20)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,20)
InChIKeyMNMFOUAABIURQF-UHFFFAOYSA-N
XLogP0.90
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 110196076) is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide is CCn1c(C2CCCN(C(=O)NC(C)C)C2)nn(C)c1=O.
What is the InChIKey of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is MNMFOUAABIURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-19-12(16-17(4)14(19)21)11-7-6-8-18(9-11)13(20)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,15,20).
What are the key properties of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.90, 3 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-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110196076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).