N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide

C24H25N3O3 — CID 26157869

IUPACN-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C24H25N3O3/c1-26-11-13-27(14-12-26)24(29)20-7-4-8-21(15-20)25-23(28)17-30-22-10-9-18-5-2-3-6-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)
InChIKeyIGCFVXGURFPPAM-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide

N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 26157869) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID26157869
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)CC1
InChIInChI=1S/C24H25N3O3/c1-26-11-13-27(14-12-26)24(29)20-7-4-8-21(15-20)25-23(28)17-30-22-10-9-18-5-2-3-6-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)
InChIKeyIGCFVXGURFPPAM-UHFFFAOYSA-N
XLogP3.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 26159412
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 26159338
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
N-(3-methylphenyl)-2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126245971
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 26158630

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide (CID 26157869) is N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide is CN1CCN(C(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is IGCFVXGURFPPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-26-11-13-27(14-12-26)24(29)20-7-4-8-21(15-20)25-23(28)17-30-22-10-9-18-5-2-3-6-19(18)16-22/h2-10,15-16H,11-14,17H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 403.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 26157869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).