3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one

C16H30N2O2 — CID 171799915

IUPAC3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)12-18-10-6-15(7-11-18)20-14-4-8-17(3)9-5-14/h13-15H,4-12H2,1-3H3
InChIKeyRJFRIIYSPDVCGZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds5

About 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one

3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one (PubChem CID 171799915) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
PubChem CID171799915
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)12-18-10-6-15(7-11-18)20-14-4-8-17(3)9-5-14/h13-15H,4-12H2,1-3H3
InChIKeyRJFRIIYSPDVCGZ-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxypiperidin-1-yl)-3-methylbutan-2-one
CID 79395912
3-Methyl-1-[9-(2-propan-2-yloxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]butan-2-one
CID 141687925
3-Methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
2-Methyl-1-[4-(1-propanoylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 166106552
3,3-Dimethyl-1-(4-propan-2-yloxypiperidin-1-yl)butan-2-one
CID 169289788
3-Methyl-1-[4-[2-(4-propan-2-yloxypiperidin-1-yl)acetyl]piperazin-1-yl]butan-1-one
CID 169289955
1-[4-(4-Methoxypiperidin-1-yl)piperidin-1-yl]-3-methylbutan-2-one
CID 171557049
3-Methyl-1-[3-[(1-methylpiperidin-4-yl)oxymethyl]azetidin-1-yl]butan-2-one
CID 171799934
3-Methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
CID 171800014
1-[4-[4-(Dimethylamino)butan-2-yloxy]piperidin-1-yl]-4-methylpentan-3-one
CID 171800054
3-Methyl-1-[4-[(1-methylpiperidin-4-yl)oxymethyl]piperidin-1-yl]butan-2-one
CID 171800170
1-[4-[4-(Dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
CID 171800204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one (CID 171799915) is 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(OC2CCN(C)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
The InChIKey is RJFRIIYSPDVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)16(19)12-18-10-6-15(7-11-18)20-14-4-8-17(3)9-5-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one?
3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one is sourced from PubChem (CID 171799915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).