2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

C16H26Cl2N4O — CID 120641372

IUPAC2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C16H24N4O.2ClH/c17-13-3-4-14(18-12-13)11-16(21)20-9-5-15(6-10-20)19-7-1-2-8-19;;/h3-4,12,15H,1-2,5-11,17H2;2*1H
InChIKeyRAEACIZZAHKLAI-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.14
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (PubChem CID 120641372) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
PubChem CID120641372
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C16H24N4O.2ClH/c17-13-3-4-14(18-12-13)11-16(21)20-9-5-15(6-10-20)19-7-1-2-8-19;;/h3-4,12,15H,1-2,5-11,17H2;2*1H
InChIKeyRAEACIZZAHKLAI-UHFFFAOYSA-N
XLogP2.14
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120645633
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120647136
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(4-aminophenyl)-1-(4-pyrrolidin-1-ylazepan-1-yl)ethanone
CID 119891341
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 107337839
2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120639461

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (CID 120641372) is 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)N2CCC(N3CCCC3)CC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The InChIKey is RAEACIZZAHKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c17-13-3-4-14(18-12-13)11-16(21)20-9-5-15(6-10-20)19-7-1-2-8-19;;/h3-4,12,15H,1-2,5-11,17H2;2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120641372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).