1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide

C12H19N5O2 — CID 75461997

IUPAC1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCN(C)C(=O)C1
InChIInChI=1S/C12H19N5O2/c1-9(6-17-8-13-7-14-17)15-12(19)10-3-4-16(2)11(18)5-10/h7-10H,3-6H2,1-2H3,(H,15,19)
InChIKeyJIMNZQJHJNMIPX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.35
Rot. Bonds4

About 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide

1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 75461997) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID75461997
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCN(C)C(=O)C1
InChIInChI=1S/C12H19N5O2/c1-9(6-17-8-13-7-14-17)15-12(19)10-3-4-16(2)11(18)5-10/h7-10H,3-6H2,1-2H3,(H,15,19)
InChIKeyJIMNZQJHJNMIPX-UHFFFAOYSA-N
XLogP-0.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide (CID 75461997) is 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide is CC(Cn1cncn1)NC(=O)C1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is JIMNZQJHJNMIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(6-17-8-13-7-14-17)15-12(19)10-3-4-16(2)11(18)5-10/h7-10H,3-6H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide?
1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 75461997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).