2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone

C15H21NO2 — CID 60667529

IUPAC2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(C)cc1CC(=O)N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-12-6-7-14(18-2)13(10-12)11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyNLNIHVLCDHWOHL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone

2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone (PubChem CID 60667529) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
PubChem CID60667529
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(C)cc1CC(=O)N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-12-6-7-14(18-2)13(10-12)11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyNLNIHVLCDHWOHL-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 79403824
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 43422284
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118
N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110812906
1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 125004805
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
4-[2-(2-methoxy-5-methylphenyl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 110812902
(6S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124969966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone (CID 60667529) is 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone is COc1ccc(C)cc1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone?
The InChIKey is NLNIHVLCDHWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-7-14(18-2)13(10-12)11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone?
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 60667529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).