2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone

C12H20N4O — CID 115289498

IUPAC2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCC1CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O/c1-9-3-5-16(6-4-9)12(17)11(13)10-7-14-15(2)8-10/h7-9,11H,3-6,13H2,1-2H3
InChIKeyAPBWSSCNOLWKKK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 115289498) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID115289498
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCC1CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O/c1-9-3-5-16(6-4-9)12(17)11(13)10-7-14-15(2)8-10/h7-9,11H,3-6,13H2,1-2H3
InChIKeyAPBWSSCNOLWKKK-UHFFFAOYSA-N
XLogP0.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-1-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290675
2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 115290639
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
CID 115290754
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102780342
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-1-(3-methylmorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 113279808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 115289498) is 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is CC1CCN(C(=O)C(N)c2cnn(C)c2)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is APBWSSCNOLWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-5-16(6-4-9)12(17)11(13)10-7-14-15(2)8-10/h7-9,11H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 115289498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).