4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C21H24N4O — CID 42224510

IUPAC4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4O/c22-17-18-7-9-19(10-8-18)21(26)23-11-4-12-24-13-15-25(16-14-24)20-5-2-1-3-6-20/h1-3,5-10H,4,11-16H2,(H,23,26)
InChIKeyUWUWQRQHZOHVIP-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.50
Rot. Bonds6

About 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224510) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224510
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4O/c22-17-18-7-9-19(10-8-18)21(26)23-11-4-12-24-13-15-25(16-14-24)20-5-2-1-3-6-20/h1-3,5-10H,4,11-16H2,(H,23,26)
InChIKeyUWUWQRQHZOHVIP-UHFFFAOYSA-N
XLogP2.50
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
3-cyano-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 39990286
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224510) is 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is N#Cc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is UWUWQRQHZOHVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-17-18-7-9-19(10-8-18)21(26)23-11-4-12-24-13-15-25(16-14-24)20-5-2-1-3-6-20/h1-3,5-10H,4,11-16H2,(H,23,26).
What are the key properties of 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).