4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C23H31N3O2 — CID 56516937

IUPAC4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-3-4-17-28-21-11-9-19(10-12-21)23(27)24-18-20-7-5-6-8-22(20)26-15-13-25(2)14-16-26/h5-12H,3-4,13-18H2,1-2H3,(H,24,27)
InChIKeyJNUJYRUIVSFPOT-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.55
Rot. Bonds8

About 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56516937) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56516937
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-3-4-17-28-21-11-9-19(10-12-21)23(27)24-18-20-7-5-6-8-22(20)26-15-13-25(2)14-16-26/h5-12H,3-4,13-18H2,1-2H3,(H,24,27)
InChIKeyJNUJYRUIVSFPOT-UHFFFAOYSA-N
XLogP3.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.55
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-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517485
5-[(4-fluorophenoxy)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56517035
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
CID 51960739
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56516937) is 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is JNUJYRUIVSFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-4-17-28-21-11-9-19(10-12-21)23(27)24-18-20-7-5-6-8-22(20)26-15-13-25(2)14-16-26/h5-12H,3-4,13-18H2,1-2H3,(H,24,27).
What are the key properties of 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56516937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).