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

C24H26ClN3O2 — CID 58467554

IUPAC2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)ccc1Cl
InChIInChI=1S/C24H26ClN3O2/c1-16-11-21(6-8-23(16)25)28-10-9-27(17(2)14-28)15-24(30)26-20-5-3-19-13-22(29)7-4-18(19)12-20/h3-8,11-12,17H,9-10,13-15H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyNUUFZOVOTQCABI-QGZVFWFLSA-N
MW423.94 g/mol
LogP3.94
Rot. Bonds4

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

2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide (PubChem CID 58467554) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
PubChem CID58467554
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)ccc1Cl
InChIInChI=1S/C24H26ClN3O2/c1-16-11-21(6-8-23(16)25)28-10-9-27(17(2)14-28)15-24(30)26-20-5-3-19-13-22(29)7-4-18(19)12-20/h3-8,11-12,17H,9-10,13-15H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeyNUUFZOVOTQCABI-QGZVFWFLSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467361
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467666
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-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467672
6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
CID 58467448
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
4-(4-chloro-3-methylphenyl)-2-methylpiperazine-1-carbaldehyde
CID 143766735
2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
CID 55627394
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide (CID 58467554) is 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)C=CC(=O)C4)[C@H](C)C2)ccc1Cl.
What is the InChIKey of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide?
The InChIKey is NUUFZOVOTQCABI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-11-21(6-8-23(16)25)28-10-9-27(17(2)14-28)15-24(30)26-20-5-3-19-13-22(29)7-4-18(19)12-20/h3-8,11-12,17H,9-10,13-15H2,1-2H3,(H,26,30)/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide?
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide has a molecular weight of 423.94 g/mol, XLogP of 3.94, 4 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]-N-(6-oxo-5H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 58467554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).