2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone

C16H20N4O — CID 95283301

IUPAC2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H](n3cccn3)C2)cn1
InChIInChI=1S/C16H20N4O/c1-13-5-6-14(11-17-13)10-16(21)19-8-2-4-15(12-19)20-9-3-7-18-20/h3,5-7,9,11,15H,2,4,8,10,12H2,1H3/t15-/m1/s1
InChIKeyWQYADMJLJLEGIW-OAHLLOKOSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone (PubChem CID 95283301) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
PubChem CID95283301
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC[C@@H](n3cccn3)C2)cn1
InChIInChI=1S/C16H20N4O/c1-13-5-6-14(11-17-13)10-16(21)19-8-2-4-15(12-19)20-9-3-7-18-20/h3,5-7,9,11,15H,2,4,8,10,12H2,1H3/t15-/m1/s1
InChIKeyWQYADMJLJLEGIW-OAHLLOKOSA-N
XLogP1.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158590
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 126772873
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
1-[(3S)-3-methylpiperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125134639
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
CID 99602928
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone (CID 95283301) is 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC[C@@H](n3cccn3)C2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone?
The InChIKey is WQYADMJLJLEGIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-5-6-14(11-17-13)10-16(21)19-8-2-4-15(12-19)20-9-3-7-18-20/h3,5-7,9,11,15H,2,4,8,10,12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone?
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95283301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).