N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide

C17H25N3O3 — CID 110604554

IUPACN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H25N3O3/c1-17(2,3)16(22)18-14-11-13(5-6-15(14)23-4)20-9-7-19(12-21)8-10-20/h5-6,11-12H,7-10H2,1-4H3,(H,18,22)
InChIKeyJSFMUNQZJLFZQM-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.96
Rot. Bonds4

About N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide

N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 110604554) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID110604554
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H25N3O3/c1-17(2,3)16(22)18-14-11-13(5-6-15(14)23-4)20-9-7-19(12-21)8-10-20/h5-6,11-12H,7-10H2,1-4H3,(H,18,22)
InChIKeyJSFMUNQZJLFZQM-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
CID 110604577
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-phenoxypropanamide
CID 110428691
4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961
2-(3,4-dimethylphenoxy)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]acetamide
CID 110426115
N-(2,5-dimethoxyphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961122
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
CID 110604584
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
2-(2,2-dimethylpropanoylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782170
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide (CID 110604554) is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide is COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is JSFMUNQZJLFZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)16(22)18-14-11-13(5-6-15(14)23-4)20-9-7-19(12-21)8-10-20/h5-6,11-12H,7-10H2,1-4H3,(H,18,22).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide?
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).