2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

C24H33N3O2 — CID 55662172

IUPAC2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc(C)cc1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C24H33N3O2/c1-19-7-6-8-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)22-18-20(2)9-10-23(22)29-3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28)
InChIKeyJNKOXSWRYVSNGP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds8

About 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide

2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 55662172) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID55662172
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc(C)cc1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C24H33N3O2/c1-19-7-6-8-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)22-18-20(2)9-10-23(22)29-3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28)
InChIKeyJNKOXSWRYVSNGP-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
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

2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
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
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 3236581
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide (CID 55662172) is 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is COc1ccc(C)cc1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is JNKOXSWRYVSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-7-6-8-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)22-18-20(2)9-10-23(22)29-3/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,25,28).
What are the key properties of 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide?
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 55662172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).