2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C22H29N3O — CID 42224502

IUPAC2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O/c1-18-9-10-19(2)21(17-18)22(26)23-11-6-12-24-13-15-25(16-14-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyZDCJLSKVBYLSNZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.25
Rot. Bonds6

About 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 42224502) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID42224502
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O/c1-18-9-10-19(2)21(17-18)22(26)23-11-6-12-24-13-15-25(16-14-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyZDCJLSKVBYLSNZ-UHFFFAOYSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506
2-chloro-5-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448922

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 42224502) is 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is Cc1ccc(C)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is ZDCJLSKVBYLSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-9-10-19(2)21(17-18)22(26)23-11-6-12-24-13-15-25(16-14-24)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26).
What are the key properties of 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 42224502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).