N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide

C24H28N4O3 — CID 4916839

IUPACN-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C#N)c(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H28N4O3/c1-30-22-15-20(17-25)21(16-23(22)31-2)26-24(29)18-28-13-11-27(12-14-28)10-6-9-19-7-4-3-5-8-19/h3-9,15-16H,10-14,18H2,1-2H3,(H,26,29)
InChIKeyZUWXOYQYBYSODE-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.84
Rot. Bonds8

About N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide

N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide (PubChem CID 4916839) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
PubChem CID4916839
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C#N)c(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H28N4O3/c1-30-22-15-20(17-25)21(16-23(22)31-2)26-24(29)18-28-13-11-27(12-14-28)10-6-9-19-7-4-3-5-8-19/h3-9,15-16H,10-14,18H2,1-2H3,(H,26,29)
InChIKeyZUWXOYQYBYSODE-UHFFFAOYSA-N
XLogP2.84
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109004517
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8549272
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide (CID 4916839) is N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide is COc1cc(C#N)c(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide?
The InChIKey is ZUWXOYQYBYSODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-22-15-20(17-25)21(16-23(22)31-2)26-24(29)18-28-13-11-27(12-14-28)10-6-9-19-7-4-3-5-8-19/h3-9,15-16H,10-14,18H2,1-2H3,(H,26,29).
What are the key properties of N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide?
N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 4916839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).