N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide

C15H18N4O2 — CID 64680347

IUPACN-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCN(C)C(=O)C1
InChIInChI=1S/C15H18N4O2/c1-11(19-7-6-18(2)14(20)10-19)15(21)17-13-5-3-4-12(8-13)9-16/h3-5,8,11H,6-7,10H2,1-2H3,(H,17,21)
InChIKeyNJPDKHIPXSYIAW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.66
Rot. Bonds3

About N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide

N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide (PubChem CID 64680347) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
PubChem CID64680347
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCN(C)C(=O)C1
InChIInChI=1S/C15H18N4O2/c1-11(19-7-6-18(2)14(20)10-19)15(21)17-13-5-3-4-12(8-13)9-16/h3-5,8,11H,6-7,10H2,1-2H3,(H,17,21)
InChIKeyNJPDKHIPXSYIAW-UHFFFAOYSA-N
XLogP0.66
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
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(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
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N-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
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(2S)-2-amino-N-(3-cyanophenyl)propanamide
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N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide (CID 64680347) is N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide is CC(C(=O)Nc1cccc(C#N)c1)N1CCN(C)C(=O)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The InChIKey is NJPDKHIPXSYIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(19-7-6-18(2)14(20)10-19)15(21)17-13-5-3-4-12(8-13)9-16/h3-5,8,11H,6-7,10H2,1-2H3,(H,17,21).
What are the key properties of N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 64680347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).