2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

C16H23N5O — CID 95340408

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)n1
InChIInChI=1S/C16H23N5O/c1-12-9-13(2)21(18-12)11-16(22)19-7-4-5-15(10-19)20-8-6-17-14(20)3/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyXPCFHFGNMOFSSB-OAHLLOKOSA-N
MW301.39 g/mol
LogP1.87
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95340408) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95340408
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)n1
InChIInChI=1S/C16H23N5O/c1-12-9-13(2)21(18-12)11-16(22)19-7-4-5-15(10-19)20-8-6-17-14(20)3/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m1/s1
InChIKeyXPCFHFGNMOFSSB-OAHLLOKOSA-N
XLogP1.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-cyclopent-2-en-1-yl-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779676
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95606393
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95340408) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is XPCFHFGNMOFSSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-9-13(2)21(18-12)11-16(22)19-7-4-5-15(10-19)20-8-6-17-14(20)3/h6,8-9,15H,4-5,7,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95340408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).