2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide

C16H22N4O — CID 168522189

IUPAC2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-9-19-10-12-20(13-11-19)15-5-3-14(4-6-15)18-16(21)7-8-17/h3-6H,2,7,9-13H2,1H3,(H,18,21)
InChIKeyBNSBTKFEUWKQLE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds5

About 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide

2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide (PubChem CID 168522189) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
PubChem CID168522189
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
SMILESCCCN1CCN(c2ccc(NC(=O)CC#N)cc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-9-19-10-12-20(13-11-19)15-5-3-14(4-6-15)18-16(21)7-8-17/h3-6H,2,7,9-13H2,1H3,(H,18,21)
InChIKeyBNSBTKFEUWKQLE-UHFFFAOYSA-N
XLogP2.07
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.07
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-acetyl-1,4-diazepan-1-yl)phenyl]-2-cyanoacetamide
CID 168521277
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339750
2-cyano-N-[4-(4-pyrrol-1-ylpiperidin-1-yl)phenyl]acetamide
CID 168523081
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 110620977
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide
CID 168522760
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide (CID 168522189) is 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide is CCCN1CCN(c2ccc(NC(=O)CC#N)cc2)CC1.
What is the InChIKey of 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is BNSBTKFEUWKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-9-19-10-12-20(13-11-19)15-5-3-14(4-6-15)18-16(21)7-8-17/h3-6H,2,7,9-13H2,1H3,(H,18,21).
What are the key properties of 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide?
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168522189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).