3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide

C28H34N4O3 — CID 71061659

IUPAC3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-34-25-10-8-24(9-11-25)26-6-2-3-7-27(26)32-16-14-31(15-17-32)18-20-35-19-12-28(33)30-22-23-5-4-13-29-21-23/h2-11,13,21H,12,14-20,22H2,1H3,(H,30,33)
InChIKeySLBBDGGSZQLWAQ-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.60
Rot. Bonds11

About 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide

3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 71061659) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID71061659
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-34-25-10-8-24(9-11-25)26-6-2-3-7-27(26)32-16-14-31(15-17-32)18-20-35-19-12-28(33)30-22-23-5-4-13-29-21-23/h2-11,13,21H,12,14-20,22H2,1H3,(H,30,33)
InChIKeySLBBDGGSZQLWAQ-UHFFFAOYSA-N
XLogP3.60
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide (CID 71061659) is 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SLBBDGGSZQLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-34-25-10-8-24(9-11-25)26-6-2-3-7-27(26)32-16-14-31(15-17-32)18-20-35-19-12-28(33)30-22-23-5-4-13-29-21-23/h2-11,13,21H,12,14-20,22H2,1H3,(H,30,33).
What are the key properties of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide?
3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 474.61 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 71061659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).