1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone

C15H21NO3 — CID 116564241

IUPAC1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
SMILESCOc1ccc(OC)c(C(=O)CC2CCCNC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-5-6-15(19-2)13(9-12)14(17)8-11-4-3-7-16-10-11/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyZQPBUDJYEZZPEP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.28
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone

1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone (PubChem CID 116564241) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
PubChem CID116564241
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
SMILESCOc1ccc(OC)c(C(=O)CC2CCCNC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-5-6-15(19-2)13(9-12)14(17)8-11-4-3-7-16-10-11/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyZQPBUDJYEZZPEP-UHFFFAOYSA-N
XLogP2.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627649
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474046
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917060
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone (CID 116564241) is 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone is COc1ccc(OC)c(C(=O)CC2CCCNC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone?
The InChIKey is ZQPBUDJYEZZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-12-5-6-15(19-2)13(9-12)14(17)8-11-4-3-7-16-10-11/h5-6,9,11,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone?
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 116564241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).