5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one

C17H25NO2 — CID 56974731

IUPAC5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
SMILESCOc1cccc(CCCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-10-7-9-15(14-16)8-3-4-11-17(19)18-12-5-2-6-13-18/h7,9-10,14H,2-6,8,11-13H2,1H3
InChIKeyATTRRFFTQPGMTO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.42
Rot. Bonds6

About 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one

5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one (PubChem CID 56974731) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
PubChem CID56974731
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
SMILESCOc1cccc(CCCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-10-7-9-15(14-16)8-3-4-11-17(19)18-12-5-2-6-13-18/h7,9-10,14H,2-6,8,11-13H2,1H3
InChIKeyATTRRFFTQPGMTO-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
13-(4-methoxyphenyl)-1-pyrrolidin-1-yltridecan-1-one
CID 11793763
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
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one (CID 56974731) is 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one is COc1cccc(CCCCC(=O)N2CCCCC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one?
The InChIKey is ATTRRFFTQPGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-16-10-7-9-15(14-16)8-3-4-11-17(19)18-12-5-2-6-13-18/h7,9-10,14H,2-6,8,11-13H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one?
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 56974731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).