1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one

C15H19NO3 — CID 112536109

IUPAC1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
SMILESCOc1cccc(CCC(=O)N2CCCC(=O)C2)c1
InChIInChI=1S/C15H19NO3/c1-19-14-6-2-4-12(10-14)7-8-15(18)16-9-3-5-13(17)11-16/h2,4,6,10H,3,5,7-9,11H2,1H3
InChIKeyYRGDLSAQWSBMPZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds4

About 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one

1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one (PubChem CID 112536109) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
PubChem CID112536109
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
SMILESCOc1cccc(CCC(=O)N2CCCC(=O)C2)c1
InChIInChI=1S/C15H19NO3/c1-19-14-6-2-4-12(10-14)7-8-15(18)16-9-3-5-13(17)11-16/h2,4,6,10H,3,5,7-9,11H2,1H3
InChIKeyYRGDLSAQWSBMPZ-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 38446915
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110799357
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
CID 112536102
1-(6-bromo-8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 75442723

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one?
The IUPAC name of 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one (CID 112536109) is 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one?
The canonical SMILES for 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one is COc1cccc(CCC(=O)N2CCCC(=O)C2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one?
The InChIKey is YRGDLSAQWSBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14-6-2-4-12(10-14)7-8-15(18)16-9-3-5-13(17)11-16/h2,4,6,10H,3,5,7-9,11H2,1H3.
What are the key properties of 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one?
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one is sourced from PubChem (CID 112536109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).