1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one

C21H17ClN2O3 — CID 70711142

IUPAC1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
SMILESO=C(c1c(O)ccc2ccccc12)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C21H17ClN2O3/c22-15-5-3-6-16(12-15)24-11-10-23(13-19(24)26)21(27)20-17-7-2-1-4-14(17)8-9-18(20)25/h1-9,12,25H,10-11,13H2
InChIKeyRPKGQXFHBMJOAU-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one

1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one (PubChem CID 70711142) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
PubChem CID70711142
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
SMILESO=C(c1c(O)ccc2ccccc12)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C21H17ClN2O3/c22-15-5-3-6-16(12-15)24-11-10-23(13-19(24)26)21(27)20-17-7-2-1-4-14(17)8-9-18(20)25/h1-9,12,25H,10-11,13H2
InChIKeyRPKGQXFHBMJOAU-UHFFFAOYSA-N
XLogP3.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
CID 70774451
1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
CID 70720509
4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
CID 70707147
4-[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-1-phenylpiperazin-2-one
CID 25453569
1-(3-chlorophenyl)-4-[2-[2-ethyl-3,5-dihydroxy-6-(4-methoxybenzoyl)phenyl]acetyl]piperazin-2-one
CID 23116518
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
N-(3-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 19022893

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one (CID 70711142) is 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one is O=C(c1c(O)ccc2ccccc12)N1CCN(c2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one?
The InChIKey is RPKGQXFHBMJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-15-5-3-6-16(12-15)24-11-10-23(13-19(24)26)21(27)20-17-7-2-1-4-14(17)8-9-18(20)25/h1-9,12,25H,10-11,13H2.
What are the key properties of 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one?
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one has a molecular weight of 380.83 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 70711142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).