6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide

C25H23N3O4 — CID 155527330

IUPAC6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C25H23N3O4/c1-16-15-27(24(31)17-5-3-2-4-6-17)11-12-28(16)25(32)22(29)20-9-7-19-14-21(23(26)30)10-8-18(19)13-20/h2-10,13-14,16H,11-12,15H2,1H3,(H2,26,30)/t16-/m1/s1
InChIKeyZJSNJJUFZAKMJL-MRXNPFEDSA-N
MW429.48 g/mol
LogP2.49
Rot. Bonds4

About 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide

6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide (PubChem CID 155527330) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide
PubChem CID155527330
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C25H23N3O4/c1-16-15-27(24(31)17-5-3-2-4-6-17)11-12-28(16)25(32)22(29)20-9-7-19-14-21(23(26)30)10-8-18(19)13-20/h2-10,13-14,16H,11-12,15H2,1H3,(H2,26,30)/t16-/m1/s1
InChIKeyZJSNJJUFZAKMJL-MRXNPFEDSA-N
XLogP2.49
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?
The IUPAC name of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide (CID 155527330) is 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc2cc(C(N)=O)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?
The InChIKey is ZJSNJJUFZAKMJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16-15-27(24(31)17-5-3-2-4-6-17)11-12-28(16)25(32)22(29)20-9-7-19-14-21(23(26)30)10-8-18(19)13-20/h2-10,13-14,16H,11-12,15H2,1H3,(H2,26,30)/t16-/m1/s1.
What are the key properties of 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide?
6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]naphthalene-2-carboxamide is sourced from PubChem (CID 155527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).