1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H25N3O — CID 155207558

IUPAC1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1cnn(C2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3O/c1-5-12-10-16-18(11-12)13-6-8-17(9-7-13)14(19)15(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyKNKWFJPHSQEUGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds2

About 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 155207558) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID155207558
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1cnn(C2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3O/c1-5-12-10-16-18(11-12)13-6-8-17(9-7-13)14(19)15(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyKNKWFJPHSQEUGK-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 155207558) is 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCc1cnn(C2CCN(C(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KNKWFJPHSQEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12-10-16-18(11-12)13-6-8-17(9-7-13)14(19)15(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 155207558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).