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

C15H21NO3 — CID 30147943

IUPAC2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-13-6-7-14(19-2)12(10-13)11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyBAHLSJICMXDDIW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone (PubChem CID 30147943) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
PubChem CID30147943
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-13-6-7-14(19-2)12(10-13)11-15(17)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyBAHLSJICMXDDIW-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 120658666

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone (CID 30147943) is 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone is COc1ccc(OC)c(CC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone?
The InChIKey is BAHLSJICMXDDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-6-7-14(19-2)12(10-13)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-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone?
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 30147943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).