2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one

C13H21N3O — CID 122269603

IUPAC2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccn(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)16-8-4-11(5-9-16)12-6-7-15(3)14-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyBZADGWXEFRTJBB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds2

About 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 122269603) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID122269603
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccn(C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)13(17)16-8-4-11(5-9-16)12-6-7-15(3)14-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyBZADGWXEFRTJBB-UHFFFAOYSA-N
XLogP1.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 122269603) is 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2ccn(C)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BZADGWXEFRTJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)13(17)16-8-4-11(5-9-16)12-6-7-15(3)14-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 122269603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).