N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C26H34N4O2 — CID 56515176

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)C(c3ccccc3)N3CCCCC3=O)c(C)c2)CC1
InChIInChI=1S/C26H34N4O2/c1-3-28-15-17-29(18-16-28)22-12-13-23(20(2)19-22)27-26(32)25(21-9-5-4-6-10-21)30-14-8-7-11-24(30)31/h4-6,9-10,12-13,19,25H,3,7-8,11,14-18H2,1-2H3,(H,27,32)
InChIKeyOAKKVJLMWVYQMB-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.83
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56515176) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56515176
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)C(c3ccccc3)N3CCCCC3=O)c(C)c2)CC1
InChIInChI=1S/C26H34N4O2/c1-3-28-15-17-29(18-16-28)22-12-13-23(20(2)19-22)27-26(32)25(21-9-5-4-6-10-21)30-14-8-7-11-24(30)31/h4-6,9-10,12-13,19,25H,3,7-8,11,14-18H2,1-2H3,(H,27,32)
InChIKeyOAKKVJLMWVYQMB-UHFFFAOYSA-N
XLogP3.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610358
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 39942537
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513978
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
CID 55572493

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56515176) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCN1CCN(c2ccc(NC(=O)C(c3ccccc3)N3CCCCC3=O)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is OAKKVJLMWVYQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-28-15-17-29(18-16-28)22-12-13-23(20(2)19-22)27-26(32)25(21-9-5-4-6-10-21)30-14-8-7-11-24(30)31/h4-6,9-10,12-13,19,25H,3,7-8,11,14-18H2,1-2H3,(H,27,32).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 434.58 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56515176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).