3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C13H21N3O2 — CID 110256062

IUPAC3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC(c2[nH]ncc2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)11-4-3-6-16(9-11)12(17)5-7-18-2/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyLLTJDIJRJFBFQD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds4

About 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110256062) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110256062
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC(c2[nH]ncc2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)11-4-3-6-16(9-11)12(17)5-7-18-2/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyLLTJDIJRJFBFQD-UHFFFAOYSA-N
XLogP1.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 53505081
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110271074
3-(azepan-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118741487
1-[2-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 168289668
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 54593500
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 62037956
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 72148154

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 110256062) is 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCCC(c2[nH]ncc2C)C1.
What is the InChIKey of 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LLTJDIJRJFBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-14-15-13(10)11-4-3-6-16(9-11)12(17)5-7-18-2/h8,11H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).