2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide

C22H22ClN3O3 — CID 58350689

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
SMILESO=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2C1
InChIInChI=1S/C22H22ClN3O3/c23-17-3-6-19(7-4-17)25-9-11-26(12-10-25)22(29)21(28)24-18-5-1-16-14-20(27)8-2-15(16)13-18/h1,3-7,13H,2,8-12,14H2,(H,24,28)
InChIKeyDVXYDTBHHPWAQV-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.69
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide (PubChem CID 58350689) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
PubChem CID58350689
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
SMILESO=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2C1
InChIInChI=1S/C22H22ClN3O3/c23-17-3-6-19(7-4-17)25-9-11-26(12-10-25)22(29)21(28)24-18-5-1-16-14-20(27)8-2-15(16)13-18/h1,3-7,13H,2,8-12,14H2,(H,24,28)
InChIKeyDVXYDTBHHPWAQV-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467625
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467769
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 58350638
2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350655
6-[[2-[(3R)-4-(4-chlorophenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 58467795
2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-5H-naphthalen-2-yl)acetamide
CID 58467449
2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
CID 58467530
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
N-(4-amino-3-chlorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108516233
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide (CID 58350689) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide is O=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2C1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?
The InChIKey is DVXYDTBHHPWAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-3-6-19(7-4-17)25-9-11-26(12-10-25)22(29)21(28)24-18-5-1-16-14-20(27)8-2-15(16)13-18/h1,3-7,13H,2,8-12,14H2,(H,24,28).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 58350689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).