2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

C14H26N6O — CID 115290639

IUPAC2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
SMILESCN(C)CCN1CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C14H26N6O/c1-17(2)4-5-19-6-8-20(9-7-19)14(21)13(15)12-10-16-18(3)11-12/h10-11,13H,4-9,15H2,1-3H3
InChIKeyZYQANNVHSSPGMT-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.87
Rot. Bonds5

About 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 115290639) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID115290639
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
SMILESCN(C)CCN1CCN(C(=O)C(N)c2cnn(C)c2)CC1
InChIInChI=1S/C14H26N6O/c1-17(2)4-5-19-6-8-20(9-7-19)14(21)13(15)12-10-16-18(3)11-12/h10-11,13H,4-9,15H2,1-3H3
InChIKeyZYQANNVHSSPGMT-UHFFFAOYSA-N
XLogP-0.87
TPSA70.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115289498
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-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290674
3-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidin-4-yl]propanoic acid
CID 115290589
2-[1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 115290799
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
CID 119878564
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
(5-aminopyrazin-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 107375502
(3S)-1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 115291008
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone (CID 115290639) is 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone is CN(C)CCN1CCN(C(=O)C(N)c2cnn(C)c2)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is ZYQANNVHSSPGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-17(2)4-5-19-6-8-20(9-7-19)14(21)13(15)12-10-16-18(3)11-12/h10-11,13H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 115290639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).