2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide

About 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide (PubChem CID 58467769) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound Name	2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
PubChem CID	58467769
Molecular Formula	C24H26ClN3O3
Molecular Weight	439.94 g/mol
Exact Mass	439.17
IUPAC Name	2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
SMILES	Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)C4)[C@H](C)C2)ccc1Cl
InChI	InChI=1S/C24H26ClN3O3/c1-15-11-20(6-8-22(15)25)27-9-10-28(16(2)14-27)24(31)23(30)26-19-5-3-18-13-21(29)7-4-17(18)12-19/h3,5-6,8,11-12,16H,4,7,9-10,13-14H2,1-2H3,(H,26,30)/t16-/m1/s1
InChIKey	NNMHSJPVJIHLTP-MRXNPFEDSA-N
XLogP	3.38
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.94
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?

The IUPAC name of 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) is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide.

What is the SMILES notation for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?

The canonical SMILES for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide is Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)C4)[C@H](C)C2)ccc1Cl.

What is the InChIKey of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?

The InChIKey is NNMHSJPVJIHLTP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-15-11-20(6-8-22(15)25)27-9-10-28(16(2)14-27)24(31)23(30)26-19-5-3-18-13-21(29)7-4-17(18)12-19/h3,5-6,8,11-12,16H,4,7,9-10,13-14H2,1-2H3,(H,26,30)/t16-/m1/s1.

What are the key properties of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide?

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide has a molecular weight of 439.94 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 58467769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).