3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one

C17H33N3O — CID 119545230

IUPAC3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
SMILESCNCC1CCN(C(=O)C(C(C)C)N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)16(19-9-5-4-6-10-19)17(21)20-11-7-15(8-12-20)13-18-3/h14-16,18H,4-13H2,1-3H3
InChIKeyLVQXYAIHDQWCCM-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds5

About 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one

3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one (PubChem CID 119545230) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
PubChem CID119545230
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
SMILESCNCC1CCN(C(=O)C(C(C)C)N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)16(19-9-5-4-6-10-19)17(21)20-11-7-15(8-12-20)13-18-3/h14-16,18H,4-13H2,1-3H3
InChIKeyLVQXYAIHDQWCCM-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

2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
CID 95342180
(2R)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
CID 95342181
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
3-methyl-1-piperazin-1-yl-2-piperidin-1-ylbutan-1-one;dihydrochloride
CID 119402338
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one (CID 119545230) is 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one is CNCC1CCN(C(=O)C(C(C)C)N2CCCCC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The InChIKey is LVQXYAIHDQWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)16(19-9-5-4-6-10-19)17(21)20-11-7-15(8-12-20)13-18-3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one 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 3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 119545230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).