2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

C15H20N4O2 — CID 586701

IUPAC2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC#N)CC2)cc1
InChIInChI=1S/C15H20N4O2/c1-21-14-4-2-13(3-5-14)17-15(20)12-19-10-8-18(7-6-16)9-11-19/h2-5H,7-12H2,1H3,(H,17,20)
InChIKeyBFHDVJYSUBFRSY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 586701) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID586701
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC#N)CC2)cc1
InChIInChI=1S/C15H20N4O2/c1-21-14-4-2-13(3-5-14)17-15(20)12-19-10-8-18(7-6-16)9-11-19/h2-5H,7-12H2,1H3,(H,17,20)
InChIKeyBFHDVJYSUBFRSY-UHFFFAOYSA-N
XLogP0.77
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
N-(4-methoxyphenyl)-2-(4-methylidenepiperidin-1-yl)acetamide
CID 172904356
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 586701) is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(CC#N)CC2)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BFHDVJYSUBFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-14-4-2-13(3-5-14)17-15(20)12-19-10-8-18(7-6-16)9-11-19/h2-5H,7-12H2,1H3,(H,17,20).
What are the key properties of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 586701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).