N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide

C12H20N4O — CID 1459220

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C12H20N4O/c1-9-12(10(2)15-14-9)13-11(17)8-16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyQFNSSSQYNOJVJA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.45
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide (PubChem CID 1459220) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide
PubChem CID1459220
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCCCC1
InChIInChI=1S/C12H20N4O/c1-9-12(10(2)15-14-9)13-11(17)8-16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyQFNSSSQYNOJVJA-UHFFFAOYSA-N
XLogP1.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide (CID 1459220) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide?
The InChIKey is QFNSSSQYNOJVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-12(10(2)15-14-9)13-11(17)8-16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1459220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).