4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

C13H18N4O2 — CID 75507992

IUPAC4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C13H18N4O2/c1-10-4-3-5-12(14-10)15-13(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9H2,1-2H3,(H,14,15,19)
InChIKeyFHEROPQCQWXPJR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds1

About 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 75507992) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID75507992
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C13H18N4O2/c1-10-4-3-5-12(14-10)15-13(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9H2,1-2H3,(H,14,15,19)
InChIKeyFHEROPQCQWXPJR-UHFFFAOYSA-N
XLogP1.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 75507992) is 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cccc(C)n2)CC1.
What is the InChIKey of 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is FHEROPQCQWXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-4-3-5-12(14-10)15-13(19)17-8-6-16(7-9-17)11(2)18/h3-5H,6-9H2,1-2H3,(H,14,15,19).
What are the key properties of 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 75507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).