2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

C26H28N4O3 — CID 70589627

IUPAC2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(C(=O)c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H28N4O3/c27-26(33)22-8-4-5-9-23(22)28-18-24(25(32)19-10-12-21(31)13-11-19)30-16-14-29(15-17-30)20-6-2-1-3-7-20/h1-13,24,28,31H,14-18H2,(H2,27,33)
InChIKeyBYXKZNODGMIPTF-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.98
Rot. Bonds8

About 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (PubChem CID 70589627) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
PubChem CID70589627
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(C(=O)c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H28N4O3/c27-26(33)22-8-4-5-9-23(22)28-18-24(25(32)19-10-12-21(31)13-11-19)30-16-14-29(15-17-30)20-6-2-1-3-7-20/h1-13,24,28,31H,14-18H2,(H2,27,33)
InChIKeyBYXKZNODGMIPTF-UHFFFAOYSA-N
XLogP2.98
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-aminophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587814
2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587712
2-[[3-(3-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70590944
2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587879
methyl 4-amino-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589623
methyl 4-methoxy-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589210
2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587768
2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
CID 70588001
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The IUPAC name of 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (CID 70589627) is 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The canonical SMILES for 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is NC(=O)c1ccccc1NCC(C(=O)c1ccc(O)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The InChIKey is BYXKZNODGMIPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c27-26(33)22-8-4-5-9-23(22)28-18-24(25(32)19-10-12-21(31)13-11-19)30-16-14-29(15-17-30)20-6-2-1-3-7-20/h1-13,24,28,31H,14-18H2,(H2,27,33).
What are the key properties of 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is sourced from PubChem (CID 70589627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).