2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one

C20H28N4O — CID 110102094

IUPAC2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one
SMILESCn1nccc1-c1ccc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)24-11-8-15(9-12-24)13-16-5-6-17(21-14-16)18-7-10-22-23(18)4/h5-7,10,14-15H,8-9,11-13H2,1-4H3
InChIKeyJKNXJLSUVXPHKV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds3

About 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 110102094) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one
PubChem CID110102094
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one
SMILESCn1nccc1-c1ccc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)24-11-8-15(9-12-24)13-16-5-6-17(21-14-16)18-7-10-22-23(18)4/h5-7,10,14-15H,8-9,11-13H2,1-4H3
InChIKeyJKNXJLSUVXPHKV-UHFFFAOYSA-N
XLogP3.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102090
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802
5-[5-[[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 125026683
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
5-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102092
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056
3-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-2-pyridinyl]benzoic acid
CID 110120329

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one (CID 110102094) is 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one is Cn1nccc1-c1ccc(CC2CCN(C(=O)C(C)(C)C)CC2)cn1.
What is the InChIKey of 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JKNXJLSUVXPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)19(25)24-11-8-15(9-12-24)13-16-5-6-17(21-14-16)18-7-10-22-23(18)4/h5-7,10,14-15H,8-9,11-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110102094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).