1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C19H35N3O — CID 3229542

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-7-6-8-17(2)22(16)19(23)15-20-13-9-18(10-14-20)21-11-4-3-5-12-21/h16-18H,3-15H2,1-2H3
InChIKeyLILQVIVCPYUAOT-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.73
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 3229542) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID3229542
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-7-6-8-17(2)22(16)19(23)15-20-13-9-18(10-14-20)21-11-4-3-5-12-21/h16-18H,3-15H2,1-2H3
InChIKeyLILQVIVCPYUAOT-UHFFFAOYSA-N
XLogP2.73
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-1-yl-1-[4-(2-piperidin-1-yl-acetyl)-piperazin-1-yl]-ethanone
CID 265942
3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(1-methylpiperidinio)propionyl)-, diiodide
CID 59637
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylidene))bis(1-methyl-, diiodide
CID 121528
Piperazine, 1-(1-oxo-2-(1-piperidinyl)propyl)-4-(1-oxo-3-(1-piperidinyl)propyl)-, dihydrochloride
CID 24842221
1,2,3-Tri(piperidin-1-yl)butan-1-one
CID 246948
N,N-dimethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439627
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438
1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
N-cyclododecyl-N-methyl-2-(piperidin-1-yl)acetamide
CID 146020950
1-(9,9-Dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one
CID 59638
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 3229542) is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is LILQVIVCPYUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16-7-6-8-17(2)22(16)19(23)15-20-13-9-18(10-14-20)21-11-4-3-5-12-21/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 321.51 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3229542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).