1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one

C20H22ClN3O3 — CID 70720509

IUPAC1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
SMILESCN(CCO)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-22(11-12-25)17-7-5-15(6-8-17)20(27)23-9-10-24(19(26)14-23)18-4-2-3-16(21)13-18/h2-8,13,25H,9-12,14H2,1H3
InChIKeyISTIHDBVDNEOLU-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.26
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one

1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one (PubChem CID 70720509) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
PubChem CID70720509
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
SMILESCN(CCO)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-22(11-12-25)17-7-5-15(6-8-17)20(27)23-9-10-24(19(26)14-23)18-4-2-3-16(21)13-18/h2-8,13,25H,9-12,14H2,1H3
InChIKeyISTIHDBVDNEOLU-UHFFFAOYSA-N
XLogP2.26
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
CID 70774451
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77094453
3-[2-oxo-4-(pyridine-4-carbonyl)piperazin-1-yl]benzaldehyde
CID 134787339
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
4-[4-(diethylamino)benzoyl]-1-(2-methylphenyl)piperazin-2-one
CID 70715907

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one (CID 70720509) is 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one is CN(CCO)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one?
The InChIKey is ISTIHDBVDNEOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-22(11-12-25)17-7-5-15(6-8-17)20(27)23-9-10-24(19(26)14-23)18-4-2-3-16(21)13-18/h2-8,13,25H,9-12,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one?
1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one has a molecular weight of 387.87 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one is sourced from PubChem (CID 70720509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).