N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide

C11H18N4O — CID 62675763

IUPACN-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
SMILESCn1cc(NC(=O)CC2CCCNC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-10(7-13-15)14-11(16)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3,(H,14,16)
InChIKeyFUMYFMYUEUKLBF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.75
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide

N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide (PubChem CID 62675763) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
PubChem CID62675763
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
SMILESCn1cc(NC(=O)CC2CCCNC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-10(7-13-15)14-11(16)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3,(H,14,16)
InChIKeyFUMYFMYUEUKLBF-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide (CID 62675763) is N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide is Cn1cc(NC(=O)CC2CCCNC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide?
The InChIKey is FUMYFMYUEUKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-10(7-13-15)14-11(16)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide?
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62675763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).