1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

C18H31Cl2N5O — CID 120817988

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)CN2CCN(c3ccccn3)CC2)CCC1N.Cl.Cl
InChIInChI=1S/C18H29N5O.2ClH/c1-18(2)14-23(8-6-15(18)19)17(24)13-21-9-11-22(12-10-21)16-5-3-4-7-20-16;;/h3-5,7,15H,6,8-14,19H2,1-2H3;2*1H
InChIKeyJRQUNGBJLILSHN-UHFFFAOYSA-N
MW404.39 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 120817988) has the molecular formula C18H31Cl2N5O and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID120817988
Molecular FormulaC18H31Cl2N5O
Molecular Weight404.39 g/mol
Exact Mass403.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCC1(C)CN(C(=O)CN2CCN(c3ccccn3)CC2)CCC1N.Cl.Cl
InChIInChI=1S/C18H29N5O.2ClH/c1-18(2)14-23(8-6-15(18)19)17(24)13-21-9-11-22(12-10-21)16-5-3-4-7-20-16;;/h3-5,7,15H,6,8-14,19H2,1-2H3;2*1H
InChIKeyJRQUNGBJLILSHN-UHFFFAOYSA-N
XLogP1.63
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119477889
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 119651248
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1483802

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (CID 120817988) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is CC1(C)CN(C(=O)CN2CCN(c3ccccn3)CC2)CCC1N.Cl.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is JRQUNGBJLILSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O.2ClH/c1-18(2)14-23(8-6-15(18)19)17(24)13-21-9-11-22(12-10-21)16-5-3-4-7-20-16;;/h3-5,7,15H,6,8-14,19H2,1-2H3;2*1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 404.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).