2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C15H20N4O2 — CID 168524286

IUPAC2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC#N)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)13-4-3-12(11-14(13)21-2)17-15(20)5-6-16/h3-4,11H,5,7-10H2,1-2H3,(H,17,20)
InChIKeyHIZIJJNAEQHXHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds4

About 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 168524286) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID168524286
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC#N)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)13-4-3-12(11-14(13)21-2)17-15(20)5-6-16/h3-4,11H,5,7-10H2,1-2H3,(H,17,20)
InChIKeyHIZIJJNAEQHXHK-UHFFFAOYSA-N
XLogP1.30
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 86720900
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
2-(3-methoxy-4-piperidin-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607889
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
CID 168523675
3-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 71713180
2-cyano-N-(3-fluoro-4-thiomorpholin-4-ylphenyl)acetamide
CID 168520386
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 168524286) is 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide is COc1cc(NC(=O)CC#N)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is HIZIJJNAEQHXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-7-9-19(10-8-18)13-4-3-12(11-14(13)21-2)17-15(20)5-6-16/h3-4,11H,5,7-10H2,1-2H3,(H,17,20).
What are the key properties of 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168524286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).