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

C28H34N4O3 — CID 71061607

IUPAC3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccncc3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-34-25-8-6-24(7-9-25)26-4-2-3-5-27(26)32-17-15-31(16-18-32)19-21-35-20-12-28(33)30-22-23-10-13-29-14-11-23/h2-11,13-14H,12,15-22H2,1H3,(H,30,33)
InChIKeyIAGKNQVEHDNSKG-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.60
Rot. Bonds11

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

3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 71061607) 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-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID71061607
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccncc3)CC2)cc1
InChIInChI=1S/C28H34N4O3/c1-34-25-8-6-24(7-9-25)26-4-2-3-5-27(26)32-17-15-31(16-18-32)19-21-35-20-12-28(33)30-22-23-10-13-29-14-11-23/h2-11,13-14H,12,15-22H2,1H3,(H,30,33)
InChIKeyIAGKNQVEHDNSKG-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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Related Compounds

CID 23635314
CID 23635314
CID 155925939
CID 155925939
CID 76071870
CID 76071870
CID 10499614
CID 10499614
CID 44427818
CID 44427818
CID 44586111
CID 44586111
CID 44586112
CID 44586112
CID 44586113
CID 44586113
CID 166635072
CID 166635072
CID 166635524
CID 166635524
CID 6487780
CID 6487780
CID 11375292
CID 11375292

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide (CID 71061607) is 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(-c2ccccc2N2CCN(CCOCCC(=O)NCc3ccncc3)CC2)cc1.
What is the InChIKey of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is IAGKNQVEHDNSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-34-25-8-6-24(7-9-25)26-4-2-3-5-27(26)32-17-15-31(16-18-32)19-21-35-20-12-28(33)30-22-23-10-13-29-14-11-23/h2-11,13-14H,12,15-22H2,1H3,(H,30,33).
What are the key properties of 3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide?
3-[2-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]ethoxy]-N-(pyridin-4-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-4-ylmethyl)propanamide is sourced from PubChem (CID 71061607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).