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

C14H24N4O — CID 115290674

IUPAC2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCC1(C)CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-4-14(2)5-7-18(8-6-14)13(19)12(15)11-9-16-17(3)10-11/h9-10,12H,4-8,15H2,1-3H3
InChIKeyDUQUNYJJHGRGQU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.46
Rot. Bonds3

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

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 115290674) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID115290674
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCC1(C)CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C14H24N4O/c1-4-14(2)5-7-18(8-6-14)13(19)12(15)11-9-16-17(3)10-11/h9-10,12H,4-8,15H2,1-3H3
InChIKeyDUQUNYJJHGRGQU-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 115290674) is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is CCC1(C)CCN(C(=O)C(N)c2cnn(C)c2)CC1.
What is the InChIKey of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is DUQUNYJJHGRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-14(2)5-7-18(8-6-14)13(19)12(15)11-9-16-17(3)10-11/h9-10,12H,4-8,15H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 115290674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).