1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone

C16H31N3O — CID 106636866

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)CC2CCCNC2)C1
InChIInChI=1S/C16H31N3O/c1-13-7-14(2)10-19(9-13)16(20)12-18(3)11-15-5-4-6-17-8-15/h13-15,17H,4-12H2,1-3H3
InChIKeyKPWMTVAMYPONPK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.42
Rot. Bonds4

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

1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone (PubChem CID 106636866) 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-[methyl(piperidin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
PubChem CID106636866
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)CC2CCCNC2)C1
InChIInChI=1S/C16H31N3O/c1-13-7-14(2)10-19(9-13)16(20)12-18(3)11-15-5-4-6-17-8-15/h13-15,17H,4-12H2,1-3H3
InChIKeyKPWMTVAMYPONPK-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
1-(2-methylmorpholin-4-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636635
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 106637068
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 106640711
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 106639754
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106615332
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone (CID 106636866) is 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone is CC1CC(C)CN(C(=O)CN(C)CC2CCCNC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The InChIKey is KPWMTVAMYPONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-7-14(2)10-19(9-13)16(20)12-18(3)11-15-5-4-6-17-8-15/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.42, 4 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-[methyl(piperidin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 106636866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).