1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione

C23H20N2O3 — CID 5280313

IUPAC1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c26-21(20-11-10-17-6-4-5-9-19(17)16-20)23(28)25-14-12-24(13-15-25)22(27)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyRMTGEJMSAQEYGS-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione

1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione (PubChem CID 5280313) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione
PubChem CID5280313
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c26-21(20-11-10-17-6-4-5-9-19(17)16-20)23(28)25-14-12-24(13-15-25)22(27)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyRMTGEJMSAQEYGS-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
Naphthalenediimide
CID 157464
Bunaftine
CID 36131
2-Benzyl-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 267579
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
Azonafide
CID 9948896
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-(1-phenethylpiperidin-4-yl)-1-naphthamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
ZM-39923
CID 3797
ZM 39923-hydrochloride
CID 176406

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione (CID 5280313) is 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione?
The InChIKey is RMTGEJMSAQEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-21(20-11-10-17-6-4-5-9-19(17)16-20)23(28)25-14-12-24(13-15-25)22(27)18-7-2-1-3-8-18/h1-11,16H,12-15H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione?
1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione has a molecular weight of 372.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-naphthalen-2-ylethane-1,2-dione is sourced from PubChem (CID 5280313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).