N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide

C26H28N4O3 — CID 46614142

IUPACN-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N4O3/c31-22-12-10-21(11-13-22)30-16-14-29(15-17-30)19-25(32)28-24-9-5-4-8-23(24)26(33)27-18-20-6-2-1-3-7-20/h1-13,31H,14-19H2,(H,27,33)(H,28,32)
InChIKeyNQGOIIOGBNWLDS-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.08
Rot. Bonds7

About N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 46614142) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID46614142
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H28N4O3/c31-22-12-10-21(11-13-22)30-16-14-29(15-17-30)19-25(32)28-24-9-5-4-8-23(24)26(33)27-18-20-6-2-1-3-7-20/h1-13,31H,14-19H2,(H,27,33)(H,28,32)
InChIKeyNQGOIIOGBNWLDS-UHFFFAOYSA-N
XLogP3.08
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55410746
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
2-acetamido-5-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782397
N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 17391707
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55848719
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 46614142) is N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is NQGOIIOGBNWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-22-12-10-21(11-13-22)30-16-14-29(15-17-30)19-25(32)28-24-9-5-4-8-23(24)26(33)27-18-20-6-2-1-3-7-20/h1-13,31H,14-19H2,(H,27,33)(H,28,32).
What are the key properties of N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 46614142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).