N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide

C11H14N4O2 — CID 75454935

IUPACN-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-12-9(6-8)14-11(17)15-5-4-13-10(16)7-15/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,12,14,17)
InChIKeyBYVHJUCMXYHFDF-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.35
Rot. Bonds1

About N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide

N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide (PubChem CID 75454935) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
PubChem CID75454935
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-12-9(6-8)14-11(17)15-5-4-13-10(16)7-15/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,12,14,17)
InChIKeyBYVHJUCMXYHFDF-UHFFFAOYSA-N
XLogP0.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide (CID 75454935) is N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide is Cc1ccnc(NC(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is BYVHJUCMXYHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-2-3-12-9(6-8)14-11(17)15-5-4-13-10(16)7-15/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,12,14,17).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide?
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 75454935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).