1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one

C12H21NO3 — CID 176576307

IUPAC1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one
SMILESCCC(=O)COC1CCN(CC(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-3-11(15)9-16-12-4-6-13(7-5-12)8-10(2)14/h12H,3-9H2,1-2H3
InChIKeyZQHSUJOKPQNQTR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.04
Rot. Bonds6

About 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one

1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one (PubChem CID 176576307) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one.

Molecular Properties

Compound Name1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one
PubChem CID176576307
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one
SMILESCCC(=O)COC1CCN(CC(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-3-11(15)9-16-12-4-6-13(7-5-12)8-10(2)14/h12H,3-9H2,1-2H3
InChIKeyZQHSUJOKPQNQTR-UHFFFAOYSA-N
XLogP1.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)oxybutan-2-one
CID 143481860
1-[4-[(1-methylazetidin-3-yl)methoxy]piperidin-1-yl]propan-2-one
CID 171800198
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
1-(3-hydroxypyrrolidin-1-yl)propan-2-one
CID 23388482
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
CID 82126762
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
1-(4-methoxypiperidin-1-yl)pentan-2-one
CID 62043112

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one?
The IUPAC name of 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one (CID 176576307) is 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one.
What is the SMILES notation for 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one?
The canonical SMILES for 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one is CCC(=O)COC1CCN(CC(C)=O)CC1.
What is the InChIKey of 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one?
The InChIKey is ZQHSUJOKPQNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-11(15)9-16-12-4-6-13(7-5-12)8-10(2)14/h12H,3-9H2,1-2H3.
What are the key properties of 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one?
1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one has a molecular weight of 227.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-oxopropyl)piperidin-4-yl]oxybutan-2-one is sourced from PubChem (CID 176576307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).