1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride

C13H23ClN4O — CID 120815701

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCC(N)C(C)(C)C2)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-6-10(16-15-9)7-12(18)17-5-4-11(14)13(2,3)8-17;/h6,11H,4-5,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyMCEFSIOHISURNL-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.27
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride (PubChem CID 120815701) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
PubChem CID120815701
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
SMILESCc1cc(CC(=O)N2CCC(N)C(C)(C)C2)n[nH]1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-6-10(16-15-9)7-12(18)17-5-4-11(14)13(2,3)8-17;/h6,11H,4-5,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyMCEFSIOHISURNL-UHFFFAOYSA-N
XLogP1.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 119934619
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
CID 110848830
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120816781
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 120818845
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 124590634
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120815553
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 115276667
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride (CID 120815701) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride is Cc1cc(CC(=O)N2CCC(N)C(C)(C)C2)n[nH]1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride?
The InChIKey is MCEFSIOHISURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-6-10(16-15-9)7-12(18)17-5-4-11(14)13(2,3)8-17;/h6,11H,4-5,7-8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 120815701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).