N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide

C13H20N4O2 — CID 55100215

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCCC1C=O
InChIInChI=1S/C13H20N4O2/c1-9-13(10(2)16-15-9)14-12(19)7-17-6-4-3-5-11(17)8-18/h8,11H,3-7H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyKQYYKOUDKPGLDI-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide (PubChem CID 55100215) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
PubChem CID55100215
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCCC1C=O
InChIInChI=1S/C13H20N4O2/c1-9-13(10(2)16-15-9)14-12(19)7-17-6-4-3-5-11(17)8-18/h8,11H,3-7H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyKQYYKOUDKPGLDI-UHFFFAOYSA-N
XLogP1.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide (CID 55100215) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCCCC1C=O.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide?
The InChIKey is KQYYKOUDKPGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-13(10(2)16-15-9)14-12(19)7-17-6-4-3-5-11(17)8-18/h8,11H,3-7H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 55100215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).