2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C12H19N3O2 — CID 95817389

IUPAC2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2[nH]ncc2C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-7-13-14-12(9)10-3-5-15(6-4-10)11(16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyALCIWIXIBJNJBB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds3

About 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 95817389) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID95817389
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2[nH]ncc2C)CC1
InChIInChI=1S/C12H19N3O2/c1-9-7-13-14-12(9)10-3-5-15(6-4-10)11(16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyALCIWIXIBJNJBB-UHFFFAOYSA-N
XLogP1.07
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 95817389) is 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2[nH]ncc2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is ALCIWIXIBJNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-13-14-12(9)10-3-5-15(6-4-10)11(16)8-17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).