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

C23H31N3O — CID 55860989

IUPAC3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-19-16-20(2)18-21(17-19)23(27)24-10-6-7-11-25-12-14-26(15-13-25)22-8-4-3-5-9-22/h3-5,8-9,16-18H,6-7,10-15H2,1-2H3,(H,24,27)
InChIKeyOASHUIKSGLSHGB-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.64
Rot. Bonds7

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

3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide (PubChem CID 55860989) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
PubChem CID55860989
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-19-16-20(2)18-21(17-19)23(27)24-10-6-7-11-25-12-14-26(15-13-25)22-8-4-3-5-9-22/h3-5,8-9,16-18H,6-7,10-15H2,1-2H3,(H,24,27)
InChIKeyOASHUIKSGLSHGB-UHFFFAOYSA-N
XLogP3.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.64
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-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 46426506
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
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
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide (CID 55860989) is 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide is Cc1cc(C)cc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
The InChIKey is OASHUIKSGLSHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-16-20(2)18-21(17-19)23(27)24-10-6-7-11-25-12-14-26(15-13-25)22-8-4-3-5-9-22/h3-5,8-9,16-18H,6-7,10-15H2,1-2H3,(H,24,27).
What are the key properties of 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide?
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 55860989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).