[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate

C23H29N3O3 — CID 16625383

IUPAC[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-25-12-14-26(15-13-25)21-10-8-20(9-11-21)24-22(27)17-29-23(28)16-19-7-5-4-6-18(19)2/h4-11H,3,12-17H2,1-2H3,(H,24,27)
InChIKeyPHSIDQXATPBMQT-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.86
Rot. Bonds7

About [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 16625383) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID16625383
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-25-12-14-26(15-13-25)21-10-8-20(9-11-21)24-22(27)17-29-23(28)16-19-7-5-4-6-18(19)2/h4-11H,3,12-17H2,1-2H3,(H,24,27)
InChIKeyPHSIDQXATPBMQT-UHFFFAOYSA-N
XLogP2.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 16624616
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 16624736
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 7990034
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 16624569
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 16624535

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 16625383) is [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate is CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccccc3C)cc2)CC1.
What is the InChIKey of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is PHSIDQXATPBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-25-12-14-26(15-13-25)21-10-8-20(9-11-21)24-22(27)17-29-23(28)16-19-7-5-4-6-18(19)2/h4-11H,3,12-17H2,1-2H3,(H,24,27).
What are the key properties of [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 395.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 16625383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).