N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide

C23H25N3O — CID 155536720

IUPACN-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O/c1-18-6-4-9-20(16-18)24-23(27)17-25-12-14-26(15-13-25)22-11-5-8-19-7-2-3-10-21(19)22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyLEQVQRFGBPYNQZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.91
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide

N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide (PubChem CID 155536720) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide
PubChem CID155536720
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O/c1-18-6-4-9-20(16-18)24-23(27)17-25-12-14-26(15-13-25)22-11-5-8-19-7-2-3-10-21(19)22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyLEQVQRFGBPYNQZ-UHFFFAOYSA-N
XLogP3.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide (CID 155536720) is N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide?
The InChIKey is LEQVQRFGBPYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-6-4-9-20(16-18)24-23(27)17-25-12-14-26(15-13-25)22-11-5-8-19-7-2-3-10-21(19)22/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 155536720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).