3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one

C16H30N2O2 — CID 171800014

IUPAC3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OCC2CCN(C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)11-18-8-5-15(6-9-18)20-12-14-4-7-17(3)10-14/h13-15H,4-12H2,1-3H3
InChIKeyMPDYLTVVCFNGNM-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.64
Rot. Bonds6

About 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one

3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one (PubChem CID 171800014) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
PubChem CID171800014
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(OCC2CCN(C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)16(19)11-18-8-5-15(6-9-18)20-12-14-4-7-17(3)10-14/h13-15H,4-12H2,1-3H3
InChIKeyMPDYLTVVCFNGNM-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[4-[[1-(1-sulfanylethyl)pyrrolidin-3-yl]oxymethyl]piperidin-1-yl]butan-2-one
CID 171800169
1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
CID 171800198
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 176576638
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985
N-[[1-(3-methyl-2-oxobutyl)piperidin-4-yl]methylsulfonyl]propanamide
CID 167520484
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one (CID 171800014) is 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(OCC2CCN(C)C2)CC1.
What is the InChIKey of 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one?
The InChIKey is MPDYLTVVCFNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)16(19)11-18-8-5-15(6-9-18)20-12-14-4-7-17(3)10-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one?
3-methyl-1-[4-[(1-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.64, 6 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-methylpyrrolidin-3-yl)methoxy]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 171800014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).