4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C22H30N4O2 — CID 15050925

IUPAC4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17,23H2,1H3,(H,24,27)
InChIKeyYEBRKBPRLIBJQY-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.61
Rot. Bonds8

About 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 15050925) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID15050925
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17,23H2,1H3,(H,24,27)
InChIKeyYEBRKBPRLIBJQY-UHFFFAOYSA-N
XLogP2.61
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 15050925) is 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is YEBRKBPRLIBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17,23H2,1H3,(H,24,27).
What are the key properties of 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 15050925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).