1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one

C16H21NO3 — CID 112536102

IUPAC1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
SMILESCCOc1ccc(CCC(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-2-20-15-8-5-13(6-9-15)7-10-16(19)17-11-3-4-14(18)12-17/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyDZANXLGASAFMOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds5

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

1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one (PubChem CID 112536102) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
PubChem CID112536102
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one
SMILESCCOc1ccc(CCC(=O)N2CCCC(=O)C2)cc1
InChIInChI=1S/C16H21NO3/c1-2-20-15-8-5-13(6-9-15)7-10-16(19)17-11-3-4-14(18)12-17/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyDZANXLGASAFMOW-UHFFFAOYSA-N
XLogP2.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
CID 112536079
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
ethyl 1-[3-(4-ethoxyphenyl)propanoyl]-3-oxopiperidine-4-carboxylate
CID 112533708
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119594046
1-[3-(4-ethoxyphenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118652
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56798699
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one?
The IUPAC name of 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one (CID 112536102) is 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one.
What is the SMILES notation for 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one?
The canonical SMILES for 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one is CCOc1ccc(CCC(=O)N2CCCC(=O)C2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one?
The InChIKey is DZANXLGASAFMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-15-8-5-13(6-9-15)7-10-16(19)17-11-3-4-14(18)12-17/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one?
1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one has a molecular weight of 275.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenyl)propanoyl]piperidin-3-one is sourced from PubChem (CID 112536102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).