4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide

C26H28N4O2 — CID 31694826

IUPAC4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESO=C(CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(27-23-7-3-1-4-8-23)20-30-17-15-29(16-18-30)19-21-11-13-22(14-12-21)26(32)28-24-9-5-2-6-10-24/h1-14H,15-20H2,(H,27,31)(H,28,32)
InChIKeyDXLCGKDZBJCNAV-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.70
Rot. Bonds7

About 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide

4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 31694826) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
PubChem CID31694826
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
SMILESO=C(CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c31-25(27-23-7-3-1-4-8-23)20-30-17-15-29(16-18-30)19-21-11-13-22(14-12-21)26(32)28-24-9-5-2-6-10-24/h1-14H,15-20H2,(H,27,31)(H,28,32)
InChIKeyDXLCGKDZBJCNAV-UHFFFAOYSA-N
XLogP3.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-N-phenylbenzamide
CID 30662190
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
[4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]phenyl] acetate
CID 71858448
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71902996

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide (CID 31694826) is 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide is O=C(CN1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)Nc1ccccc1.
What is the InChIKey of 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is DXLCGKDZBJCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(27-23-7-3-1-4-8-23)20-30-17-15-29(16-18-30)19-21-11-13-22(14-12-21)26(32)28-24-9-5-2-6-10-24/h1-14H,15-20H2,(H,27,31)(H,28,32).
What are the key properties of 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide?
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 428.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 31694826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).