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

C19H23N3O — CID 3837739

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-2-21-12-14-22(15-13-21)18-10-8-17(9-11-18)20-19(23)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,20,23)
InChIKeyHBNLFCQXHMVFPG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.08
Rot. Bonds4

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

N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide (PubChem CID 3837739) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
PubChem CID3837739
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-2-21-12-14-22(15-13-21)18-10-8-17(9-11-18)20-19(23)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,20,23)
InChIKeyHBNLFCQXHMVFPG-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 16624894
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 5202294
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide (CID 3837739) is N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide is CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is HBNLFCQXHMVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-21-12-14-22(15-13-21)18-10-8-17(9-11-18)20-19(23)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 3837739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).