2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride

C14H24Cl2N4O — CID 120647975

IUPAC2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl
InChIInChI=1S/C14H22N4O.2ClH/c1-17(2)13-5-7-18(8-6-13)14(19)9-12-4-3-11(15)10-16-12;;/h3-4,10,13H,5-9,15H2,1-2H3;2*1H
InChIKeyREUGKKMDPBKFAE-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride

2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 120647975) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID120647975
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC Name2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl
InChIInChI=1S/C14H22N4O.2ClH/c1-17(2)13-5-7-18(8-6-13)14(19)9-12-4-3-11(15)10-16-12;;/h3-4,10,13H,5-9,15H2,1-2H3;2*1H
InChIKeyREUGKKMDPBKFAE-UHFFFAOYSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120639461
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120640034
2-(5-amino-2-pyridinyl)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 107339308

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride (CID 120647975) is 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride is CN(C)C1CCN(C(=O)Cc2ccc(N)cn2)CC1.Cl.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is REUGKKMDPBKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.2ClH/c1-17(2)13-5-7-18(8-6-13)14(19)9-12-4-3-11(15)10-16-12;;/h3-4,10,13H,5-9,15H2,1-2H3;2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride?
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 1.60, 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-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120647975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).