2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone

C11H22N2O2 — CID 43747632

IUPAC2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-10-4-6-13(7-5-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAXBKEFVOPMYMTK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 43747632) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID43747632
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-10-4-6-13(7-5-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyAXBKEFVOPMYMTK-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43747615
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone (CID 43747632) is 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone is COCC(=O)N1CCC(NC(C)C)CC1.
What is the InChIKey of 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is AXBKEFVOPMYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-10-4-6-13(7-5-10)11(14)8-15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43747632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).