N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide

C23H25N3O2 — CID 1086060

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O2/c1-25-13-15-26(16-14-25)20-11-9-19(10-12-20)24-23(27)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyCDDKOQHPIZXAFZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 1086060) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
PubChem CID1086060
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O2/c1-25-13-15-26(16-14-25)20-11-9-19(10-12-20)24-23(27)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyCDDKOQHPIZXAFZ-UHFFFAOYSA-N
XLogP3.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide (CID 1086060) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide is CN1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is CDDKOQHPIZXAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-13-15-26(16-14-25)20-11-9-19(10-12-20)24-23(27)17-28-22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 375.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 1086060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).