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

C26H29N3O3 — CID 2969652

IUPACN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-5-26(31)29-16-14-28(15-17-29)23-11-9-22(10-12-23)27-25(30)19-32-24-13-8-20-6-3-4-7-21(20)18-24/h3-4,6-13,18H,2,5,14-17,19H2,1H3,(H,27,30)
InChIKeyQYSQKBUQMDLSNW-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.31
Rot. Bonds7

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

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 2969652) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID2969652
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-5-26(31)29-16-14-28(15-17-29)23-11-9-22(10-12-23)27-25(30)19-32-24-13-8-20-6-3-4-7-21(20)18-24/h3-4,6-13,18H,2,5,14-17,19H2,1H3,(H,27,30)
InChIKeyQYSQKBUQMDLSNW-UHFFFAOYSA-N
XLogP4.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.31
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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Related Compounds

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 3287897
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 6461848
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
2-(4-chloro-3-methylphenoxy)-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]acetamide
CID 17358425
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide (CID 2969652) is N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide is CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is QYSQKBUQMDLSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-5-26(31)29-16-14-28(15-17-29)23-11-9-22(10-12-23)27-25(30)19-32-24-13-8-20-6-3-4-7-21(20)18-24/h3-4,6-13,18H,2,5,14-17,19H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide?
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 431.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 2969652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).