2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one

C17H32N4O2 — CID 119836690

IUPAC2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)C(C)(C)N)CC2)C1
InChIInChI=1S/C17H32N4O2/c1-13-9-14(2)11-21(10-13)15(22)12-19-5-7-20(8-6-19)16(23)17(3,4)18/h13-14H,5-12,18H2,1-4H3
InChIKeyFQRLLEJOPMNUQA-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.37
Rot. Bonds3

About 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 119836690) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID119836690
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)C(C)(C)N)CC2)C1
InChIInChI=1S/C17H32N4O2/c1-13-9-14(2)11-21(10-13)15(22)12-19-5-7-20(8-6-19)16(23)17(3,4)18/h13-14H,5-12,18H2,1-4H3
InChIKeyFQRLLEJOPMNUQA-UHFFFAOYSA-N
XLogP0.37
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119836715
7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one
CID 119836686
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119836743
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836717
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
N-[2-[[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111418949

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one (CID 119836690) is 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one is CC1CC(C)CN(C(=O)CN2CCN(C(=O)C(C)(C)N)CC2)C1.
What is the InChIKey of 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is FQRLLEJOPMNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13-9-14(2)11-21(10-13)15(22)12-19-5-7-20(8-6-19)16(23)17(3,4)18/h13-14H,5-12,18H2,1-4H3.
What are the key properties of 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 324.47 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 119836690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).