N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C28H30N4O3 — CID 46512979

IUPACN-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C28H30N4O3/c33-26(29-24-14-8-3-9-15-24)21-31-16-18-32(19-17-31)28(35)25(20-22-10-4-1-5-11-22)30-27(34)23-12-6-2-7-13-23/h1-15,25H,16-21H2,(H,29,33)(H,30,34)
InChIKeyRFRSCEUFISMGBP-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.81
Rot. Bonds8

About N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 46512979) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID46512979
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C28H30N4O3/c33-26(29-24-14-8-3-9-15-24)21-31-16-18-32(19-17-31)28(35)25(20-22-10-4-1-5-11-22)30-27(34)23-12-6-2-7-13-23/h1-15,25H,16-21H2,(H,29,33)(H,30,34)
InChIKeyRFRSCEUFISMGBP-UHFFFAOYSA-N
XLogP2.81
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
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2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
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2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
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N-[1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
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2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 46512979) is N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is RFRSCEUFISMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-26(29-24-14-8-3-9-15-24)21-31-16-18-32(19-17-31)28(35)25(20-22-10-4-1-5-11-22)30-27(34)23-12-6-2-7-13-23/h1-15,25H,16-21H2,(H,29,33)(H,30,34).
What are the key properties of N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 46512979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).