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

C16H31N3O — CID 119491272

IUPAC3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
SMILESCNC1CCCN(C(=O)C(C(C)C)N2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-13(2)15(18-9-5-4-6-10-18)16(20)19-11-7-8-14(12-19)17-3/h13-15,17H,4-12H2,1-3H3
InChIKeyPNTPOVPAWGBDFK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds4

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

3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one (PubChem CID 119491272) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
PubChem CID119491272
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
SMILESCNC1CCCN(C(=O)C(C(C)C)N2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-13(2)15(18-9-5-4-6-10-18)16(20)19-11-7-8-14(12-19)17-3/h13-15,17H,4-12H2,1-3H3
InChIKeyPNTPOVPAWGBDFK-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230
3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride
CID 119491433
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
(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
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 119489018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one (CID 119491272) is 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one is CNC1CCCN(C(=O)C(C(C)C)N2CCCCC2)C1.
What is the InChIKey of 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
The InChIKey is PNTPOVPAWGBDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)15(18-9-5-4-6-10-18)16(20)19-11-7-8-14(12-19)17-3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one?
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 119491272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).