4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide

C22H27N3O — CID 72581664

IUPAC4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
SMILESCCCC=Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C22H27N3O/c1-2-3-4-5-18-6-8-19(9-7-18)22(26)24-20-10-12-21(13-11-20)25-16-14-23-15-17-25/h4-13,23H,2-3,14-17H2,1H3,(H,24,26)
InChIKeyZRJANQKSJIZTCW-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.16
Rot. Bonds6

About 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide

4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide (PubChem CID 72581664) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
PubChem CID72581664
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide
SMILESCCCC=Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C22H27N3O/c1-2-3-4-5-18-6-8-19(9-7-18)22(26)24-20-10-12-21(13-11-20)25-16-14-23-15-17-25/h4-13,23H,2-3,14-17H2,1H3,(H,24,26)
InChIKeyZRJANQKSJIZTCW-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide?
The IUPAC name of 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide (CID 72581664) is 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide?
The canonical SMILES for 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide is CCCC=Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide?
The InChIKey is ZRJANQKSJIZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-3-4-5-18-6-8-19(9-7-18)22(26)24-20-10-12-21(13-11-20)25-16-14-23-15-17-25/h4-13,23H,2-3,14-17H2,1H3,(H,24,26).
What are the key properties of 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide?
4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-1-enyl-N-(4-piperazin-1-ylphenyl)benzamide is sourced from PubChem (CID 72581664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).