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

C23H29N3O2 — CID 5202294

IUPACN-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-3-5-10-22(27)26-17-15-25(16-18-26)21-13-11-20(12-14-21)24-23(28)19-8-6-4-7-9-19/h4,6-9,11-14H,2-3,5,10,15-18H2,1H3,(H,24,28)
InChIKeyJXIOEUHQDSBODY-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds7

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

N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide (PubChem CID 5202294) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
PubChem CID5202294
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
SMILESCCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-2-3-5-10-22(27)26-17-15-25(16-18-26)21-13-11-20(12-14-21)24-23(28)19-8-6-4-7-9-19/h4,6-9,11-14H,2-3,5,10,15-18H2,1H3,(H,24,28)
InChIKeyJXIOEUHQDSBODY-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
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-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 4038929
3-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzamide
CID 42767064
4-hexyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide
CID 3666746
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 42767036
(2S)-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]-2-phenylbutanamide
CID 7356460
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 3976196
2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide
CID 3919353
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea
CID 5023525

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide (CID 5202294) is N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide is CCCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is JXIOEUHQDSBODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-3-5-10-22(27)26-17-15-25(16-18-26)21-13-11-20(12-14-21)24-23(28)19-8-6-4-7-9-19/h4,6-9,11-14H,2-3,5,10,15-18H2,1H3,(H,24,28).
What are the key properties of N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide?
N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 5202294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).