(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide

C23H30N4O2 — CID 124990413

IUPAC(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(=O)NC
InChIInChI=1S/C23H30N4O2/c1-3-19-11-7-8-12-20(19)25-22(28)17-27-14-13-26(16-21(27)23(29)24-2)15-18-9-5-4-6-10-18/h4-12,21H,3,13-17H2,1-2H3,(H,24,29)(H,25,28)/t21-/m0/s1
InChIKeyPBOYLYXSEBNAOF-NRFANRHFSA-N
MW394.52 g/mol
LogP2.12
Rot. Bonds7

About (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide

(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide (PubChem CID 124990413) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
PubChem CID124990413
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(=O)NC
InChIInChI=1S/C23H30N4O2/c1-3-19-11-7-8-12-20(19)25-22(28)17-27-14-13-26(16-21(27)23(29)24-2)15-18-9-5-4-6-10-18/h4-12,21H,3,13-17H2,1-2H3,(H,24,29)(H,25,28)/t21-/m0/s1
InChIKeyPBOYLYXSEBNAOF-NRFANRHFSA-N
XLogP2.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-benzyl-N-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazine-2-carboxamide
CID 124963276
(2S)-4-benzyl-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-2-oxoethyl]-N-methylpiperazine-2-carboxamide
CID 124972580
(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
CID 125016570
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
(2R)-4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 124957917
4-benzyl-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-2-carboxamide
CID 110122356
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide (CID 124990413) is (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide is CCc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C(=O)NC.
What is the InChIKey of (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is PBOYLYXSEBNAOF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-19-11-7-8-12-20(19)25-22(28)17-27-14-13-26(16-21(27)23(29)24-2)15-18-9-5-4-6-10-18/h4-12,21H,3,13-17H2,1-2H3,(H,24,29)(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide?
(2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-1-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124990413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).