4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide

C25H33N3O2 — CID 4038929

IUPAC4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-3-5-6-7-24(29)28-18-16-27(17-19-28)23-14-12-22(13-15-23)26-25(30)21-10-8-20(4-2)9-11-21/h8-15H,3-7,16-19H2,1-2H3,(H,26,30)
InChIKeyRDIORVHOAWUCGS-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.73
Rot. Bonds8

About 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide

4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 4038929) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID4038929
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-3-5-6-7-24(29)28-18-16-27(17-19-28)23-14-12-22(13-15-23)26-25(30)21-10-8-20(4-2)9-11-21/h8-15H,3-7,16-19H2,1-2H3,(H,26,30)
InChIKeyRDIORVHOAWUCGS-UHFFFAOYSA-N
XLogP4.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide
CID 3666746
N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 5202294
3-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzamide
CID 42767064
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
4-ethyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]benzamide
CID 5205904
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-ethylbenzamide
CID 4569965
2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide
CID 3919353
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 42767036
3-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 17050618

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide (CID 4038929) is 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide is CCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is RDIORVHOAWUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-5-6-7-24(29)28-18-16-27(17-19-28)23-14-12-22(13-15-23)26-25(30)21-10-8-20(4-2)9-11-21/h8-15H,3-7,16-19H2,1-2H3,(H,26,30).
What are the key properties of 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 4038929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).