2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone

C17H26N2O3 — CID 113073361

IUPAC2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
SMILESCOCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O3/c1-21-13-3-8-18-9-11-19(12-10-18)17(20)14-15-4-6-16(22-2)7-5-15/h4-7H,3,8-14H2,1-2H3
InChIKeyWMQUVTDUGLUDAZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.42
Rot. Bonds7

About 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone (PubChem CID 113073361) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
PubChem CID113073361
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
SMILESCOCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O3/c1-21-13-3-8-18-9-11-19(12-10-18)17(20)14-15-4-6-16(22-2)7-5-15/h4-7H,3,8-14H2,1-2H3
InChIKeyWMQUVTDUGLUDAZ-UHFFFAOYSA-N
XLogP1.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113073801
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110346697
tert-butyl 3-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propanoate
CID 56799349
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone (CID 113073361) is 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone is COCCCN1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone?
The InChIKey is WMQUVTDUGLUDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-13-3-8-18-9-11-19(12-10-18)17(20)14-15-4-6-16(22-2)7-5-15/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113073361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).