1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C20H30N2O3 — CID 56781703

IUPAC1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OCCCN2CCCC2C2CCCN2C(C)=O)cc1
InChIInChI=1S/C20H30N2O3/c1-16(23)22-14-4-7-20(22)19-6-3-12-21(19)13-5-15-25-18-10-8-17(24-2)9-11-18/h8-11,19-20H,3-7,12-15H2,1-2H3
InChIKeyZIRZPZIIUZDIPT-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 56781703) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID56781703
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(OCCCN2CCCC2C2CCCN2C(C)=O)cc1
InChIInChI=1S/C20H30N2O3/c1-16(23)22-14-4-7-20(22)19-6-3-12-21(19)13-5-15-25-18-10-8-17(24-2)9-11-18/h8-11,19-20H,3-7,12-15H2,1-2H3
InChIKeyZIRZPZIIUZDIPT-UHFFFAOYSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.94
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

1-[(2R)-2-[(2R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346776
(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 91831409
1-[(2R)-2-[(2R)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325300
1-[(2S)-2-[(2S)-1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95325298
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307713
1-[(2S)-2-[(2R)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95342506
4-[2-[(2S)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95315374
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
1-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95290603
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 56781703) is 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is COc1ccc(OCCCN2CCCC2C2CCCN2C(C)=O)cc1.
What is the InChIKey of 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZIRZPZIIUZDIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(23)22-14-4-7-20(22)19-6-3-12-21(19)13-5-15-25-18-10-8-17(24-2)9-11-18/h8-11,19-20H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56781703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).