1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

C17H33N3O — CID 60806824

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CC(C)CC(C)C1)C1CCNCC1
InChIInChI=1S/C17H33N3O/c1-4-9-19(16-5-7-18-8-6-16)13-17(21)20-11-14(2)10-15(3)12-20/h14-16,18H,4-13H2,1-3H3
InChIKeyAIFCWAQGFYBYMH-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (PubChem CID 60806824) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
PubChem CID60806824
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CC(C)CC(C)C1)C1CCNCC1
InChIInChI=1S/C17H33N3O/c1-4-9-19(16-5-7-18-8-6-16)13-17(21)20-11-14(2)10-15(3)12-20/h14-16,18H,4-13H2,1-3H3
InChIKeyAIFCWAQGFYBYMH-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 62015648
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
N-(4-methylcyclohexyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933013
3,3-dimethyl-1-[piperidin-4-yl(propyl)amino]butan-2-one
CID 62030880
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(cyclopropylmethyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806815

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (CID 60806824) is 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone is CCCN(CC(=O)N1CC(C)CC(C)C1)C1CCNCC1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The InChIKey is AIFCWAQGFYBYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-9-19(16-5-7-18-8-6-16)13-17(21)20-11-14(2)10-15(3)12-20/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone has a molecular weight of 295.47 g/mol, XLogP of 1.95, 5 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-[piperidin-4-yl(propyl)amino]ethanone is sourced from PubChem (CID 60806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).