1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one

C16H31N3O — CID 119918311

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(C)C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)16(20)14(3)18-7-5-6-15(11-18)17-4/h12-15,17H,5-11H2,1-4H3
InChIKeyJVGWEHPOFTXWMQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 119918311) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID119918311
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(C)C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)16(20)14(3)18-7-5-6-15(11-18)17-4/h12-15,17H,5-11H2,1-4H3
InChIKeyJVGWEHPOFTXWMQ-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119918310
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530576
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119919695
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 119918311) is 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(C)C(=O)N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is JVGWEHPOFTXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)16(20)14(3)18-7-5-6-15(11-18)17-4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).