N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C17H24N6O3 — CID 167794133

IUPACN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCOc1nn(C)cc1CNC(=O)C(=O)N1CCCCC1c1cnn(C)c1
InChIInChI=1S/C17H24N6O3/c1-21-10-12(9-19-21)14-6-4-5-7-23(14)17(25)15(24)18-8-13-11-22(2)20-16(13)26-3/h9-11,14H,4-8H2,1-3H3,(H,18,24)
InChIKeyZDKLBTPODDQNEY-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.53
Rot. Bonds4

About N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 167794133) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID167794133
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCOc1nn(C)cc1CNC(=O)C(=O)N1CCCCC1c1cnn(C)c1
InChIInChI=1S/C17H24N6O3/c1-21-10-12(9-19-21)14-6-4-5-7-23(14)17(25)15(24)18-8-13-11-22(2)20-16(13)26-3/h9-11,14H,4-8H2,1-3H3,(H,18,24)
InChIKeyZDKLBTPODDQNEY-UHFFFAOYSA-N
XLogP0.53
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 167794133) is N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is COc1nn(C)cc1CNC(=O)C(=O)N1CCCCC1c1cnn(C)c1.
What is the InChIKey of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZDKLBTPODDQNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21-10-12(9-19-21)14-6-4-5-7-23(14)17(25)15(24)18-8-13-11-22(2)20-16(13)26-3/h9-11,14H,4-8H2,1-3H3,(H,18,24).
What are the key properties of N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 360.42 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167794133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).