N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide

C25H29N3O2 — CID 9245423

IUPACN-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C
InChIInChI=1S/C25H29N3O2/c1-18-6-5-9-23(19(18)2)26-25(30)17-28-14-12-27(13-15-28)16-22-21-8-4-3-7-20(21)10-11-24(22)29/h3-11,29H,12-17H2,1-2H3,(H,26,30)
InChIKeyWNKDRPWOIMBAGJ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.92
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 9245423) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide
PubChem CID9245423
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C
InChIInChI=1S/C25H29N3O2/c1-18-6-5-9-23(19(18)2)26-25(30)17-28-14-12-27(13-15-28)16-22-21-8-4-3-7-20(21)10-11-24(22)29/h3-11,29H,12-17H2,1-2H3,(H,26,30)
InChIKeyWNKDRPWOIMBAGJ-UHFFFAOYSA-N
XLogP3.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31252685
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(2,3-dimethylphenyl)-2-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9435359
N-(2,3-dimethylphenyl)-2-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17464926
N-(2,3-dimethylphenyl)-2-[4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 126781490
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide (CID 9245423) is N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(Cc3c(O)ccc4ccccc34)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is WNKDRPWOIMBAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-6-5-9-23(19(18)2)26-25(30)17-28-14-12-27(13-15-28)16-22-21-8-4-3-7-20(21)10-11-24(22)29/h3-11,29H,12-17H2,1-2H3,(H,26,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9245423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).