N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide

C11H18N4O — CID 145270654

IUPACN-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-9(16)12-10-4-3-6-15(8-10)11-5-7-14(2)13-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyOQFWBCFISUVKNQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds2

About N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide

N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide (PubChem CID 145270654) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
PubChem CID145270654
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2ccn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-9(16)12-10-4-3-6-15(8-10)11-5-7-14(2)13-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyOQFWBCFISUVKNQ-UHFFFAOYSA-N
XLogP0.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide (CID 145270654) is N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2ccn(C)n2)C1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide?
The InChIKey is OQFWBCFISUVKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(16)12-10-4-3-6-15(8-10)11-5-7-14(2)13-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,12,16).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide?
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 145270654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).