1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione

C24H22N2O3 — CID 5280315

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O3/c1-17-16-25(23(28)19-8-3-2-4-9-19)13-14-26(17)24(29)22(27)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
InChIKeyAEMGJWOSCUGJNT-QGZVFWFLSA-N
MW386.45 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione (PubChem CID 5280315) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione
PubChem CID5280315
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O3/c1-17-16-25(23(28)19-8-3-2-4-9-19)13-14-26(17)24(29)22(27)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
InChIKeyAEMGJWOSCUGJNT-QGZVFWFLSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione (CID 5280315) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione?
The InChIKey is AEMGJWOSCUGJNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-16-25(23(28)19-8-3-2-4-9-19)13-14-26(17)24(29)22(27)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione has a molecular weight of 386.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-2-ylethane-1,2-dione is sourced from PubChem (CID 5280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).