2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide

C14H18N4O — CID 83015427

IUPAC2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN(NC(=O)C(C#N)c2ccccc2)CC1
InChIInChI=1S/C14H18N4O/c1-17-7-9-18(10-8-17)16-14(19)13(11-15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,19)
InChIKeyQTTXSDVGTWVAFH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.57
Rot. Bonds3

About 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide

2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 83015427) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide
PubChem CID83015427
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN(NC(=O)C(C#N)c2ccccc2)CC1
InChIInChI=1S/C14H18N4O/c1-17-7-9-18(10-8-17)16-14(19)13(11-15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,19)
InChIKeyQTTXSDVGTWVAFH-UHFFFAOYSA-N
XLogP0.57
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-3-oxo-2-phenylbutanenitrile
CID 2986849
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
3-(4-acetyl-1,4-diazepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62878066
2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide
CID 113485501
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 107857017
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
3-(azepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62877694
2-cyano-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide
CID 55129156
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide (CID 83015427) is 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide is CN1CCN(NC(=O)C(C#N)c2ccccc2)CC1.
What is the InChIKey of 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is QTTXSDVGTWVAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-7-9-18(10-8-17)16-14(19)13(11-15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,19).
What are the key properties of 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide?
2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 83015427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).