3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one

C15H21NO2 — CID 103935591

IUPAC3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
SMILESCOC1CCCN(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-14-8-5-10-16(12-14)11-9-15(17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyDTTLIVYQZCORSK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds5

About 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one

3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 103935591) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID103935591
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
SMILESCOC1CCCN(CCC(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-18-14-8-5-10-16(12-14)11-9-15(17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyDTTLIVYQZCORSK-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103538762
1-(4-bromophenyl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960713
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one (CID 103935591) is 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one is COC1CCCN(CCC(=O)c2ccccc2)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is DTTLIVYQZCORSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-8-5-10-16(12-14)11-9-15(17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one?
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 103935591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).