5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide

C26H35N3O3 — CID 55911151

IUPAC5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-21-6-3-7-23(20-21)29-18-16-28(17-19-29)15-5-14-27-26(31)9-4-8-25(30)22-10-12-24(32-2)13-11-22/h3,6-7,10-13,20H,4-5,8-9,14-19H2,1-2H3,(H,27,31)
InChIKeyFIUGRUHJYBSLKT-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.69
Rot. Bonds11

About 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide

5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide (PubChem CID 55911151) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
PubChem CID55911151
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-21-6-3-7-23(20-21)29-18-16-28(17-19-29)15-5-14-27-26(31)9-4-8-25(30)22-10-12-24(32-2)13-11-22/h3,6-7,10-13,20H,4-5,8-9,14-19H2,1-2H3,(H,27,31)
InChIKeyFIUGRUHJYBSLKT-UHFFFAOYSA-N
XLogP3.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
4-(4-bromophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxobutanamide
CID 46462338
4-methoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 34266899
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide (CID 55911151) is 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCCCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide?
The InChIKey is FIUGRUHJYBSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-21-6-3-7-23(20-21)29-18-16-28(17-19-29)15-5-14-27-26(31)9-4-8-25(30)22-10-12-24(32-2)13-11-22/h3,6-7,10-13,20H,4-5,8-9,14-19H2,1-2H3,(H,27,31).
What are the key properties of 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide?
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide has a molecular weight of 437.58 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide is sourced from PubChem (CID 55911151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).