3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one

C12H23NO2 — CID 58395437

IUPAC3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)11-5-4-7-13(9-11)12(14)6-8-15-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyANRLRPRFDSLQFI-LLVKDONJSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds4

About 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one

3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 58395437) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
PubChem CID58395437
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@@H](C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)11-5-4-7-13(9-11)12(14)6-8-15-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyANRLRPRFDSLQFI-LLVKDONJSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 144584534
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one (CID 58395437) is 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@@H](C(C)C)C1.
What is the InChIKey of 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is ANRLRPRFDSLQFI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)11-5-4-7-13(9-11)12(14)6-8-15-3/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 58395437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).