1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride

C10H18Cl2N4O — CID 119380216

IUPAC1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H16N4O.2ClH/c11-9-3-1-5-13(7-9)10(15)8-14-6-2-4-12-14;;/h2,4,6,9H,1,3,5,7-8,11H2;2*1H
InChIKeyLCQOVWHUGZCEPJ-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.68
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride

1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride (PubChem CID 119380216) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
PubChem CID119380216
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H16N4O.2ClH/c11-9-3-1-5-13(7-9)10(15)8-14-6-2-4-12-14;;/h2,4,6,9H,1,3,5,7-8,11H2;2*1H
InChIKeyLCQOVWHUGZCEPJ-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 ≤ 500281.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119592480
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride (CID 119380216) is 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
The InChIKey is LCQOVWHUGZCEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c11-9-3-1-5-13(7-9)10(15)8-14-6-2-4-12-14;;/h2,4,6,9H,1,3,5,7-8,11H2;2*1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride?
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride has a molecular weight of 281.19 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 1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119380216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).