2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

C21H24N4O4 — CID 2981650

IUPAC2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H24N4O4/c1-2-29-17-10-8-16(9-11-17)23-19(26)14-18-20(27)22-12-13-25(18)21(28)24-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyPLOKNJMNHUQJJU-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 2981650) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID2981650
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H24N4O4/c1-2-29-17-10-8-16(9-11-17)23-19(26)14-18-20(27)22-12-13-25(18)21(28)24-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyPLOKNJMNHUQJJU-UHFFFAOYSA-N
XLogP2.45
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 3-[[2-[3-oxo-1-[(4-phenylmethoxyphenyl)carbamoyl]piperazin-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 2813546
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
ethyl 1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 41130879
2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-methylpropyl 2-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822241
2-[(2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 51627306
2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2813215
(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 6975937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (CID 2981650) is 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is CCOc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is PLOKNJMNHUQJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-29-17-10-8-16(9-11-17)23-19(26)14-18-20(27)22-12-13-25(18)21(28)24-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).