N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C19H21N3O3 — CID 2447572

IUPACN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17-9-5-4-8-16(17)21-10-12-22(13-11-21)18(24)14-20-19(25)15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,20,25)
InChIKeyNQKNMUYLBYNXPM-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.47
Rot. Bonds4

About N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 2447572) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID2447572
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c23-17-9-5-4-8-16(17)21-10-12-22(13-11-21)18(24)14-20-19(25)15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,20,25)
InChIKeyNQKNMUYLBYNXPM-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 2447572) is N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NQKNMUYLBYNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17-9-5-4-8-16(17)21-10-12-22(13-11-21)18(24)14-20-19(25)15-6-2-1-3-7-15/h1-9,23H,10-14H2,(H,20,25).
What are the key properties of N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 2447572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).