1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one

C15H19NO3 — CID 101318471

IUPAC1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKeyJSQRTBQRPZPFEF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.17
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one

1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one (PubChem CID 101318471) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
PubChem CID101318471
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3
InChIKeyJSQRTBQRPZPFEF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101320227
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 153363857
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one (CID 101318471) is 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one is COc1ccc(CCC(=O)N2CCCCC2=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
The InChIKey is JSQRTBQRPZPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-13-8-5-12(6-9-13)7-10-15(18)16-11-3-2-4-14(16)17/h5-6,8-9H,2-4,7,10-11H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one?
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one is sourced from PubChem (CID 101318471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).