4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

C21H24N4O2 — CID 42266430

IUPAC4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-20-8-6-19(7-9-20)25-14-12-24(13-15-25)11-10-23-21(26)18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyMJMZSMDTJXKULB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.12
Rot. Bonds6

About 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide

4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266430) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266430
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-27-20-8-6-19(7-9-20)25-14-12-24(13-15-25)11-10-23-21(26)18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyMJMZSMDTJXKULB-UHFFFAOYSA-N
XLogP2.12
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 41277702
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide (CID 42266430) is 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(N2CCN(CCNC(=O)c3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is MJMZSMDTJXKULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-20-8-6-19(7-9-20)25-14-12-24(13-15-25)11-10-23-21(26)18-4-2-17(16-22)3-5-18/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide?
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).