N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide

C19H31N3O2 — CID 56812631

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
SMILESCCN1CCN(CCCCNC(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-21-12-14-22(15-13-21)11-5-4-10-20-19(23)18-8-6-17(7-9-18)16-24-2/h6-9H,3-5,10-16H2,1-2H3,(H,20,23)
InChIKeyQEJYSXGVJWZDBE-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.98
Rot. Bonds9

About N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide

N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide (PubChem CID 56812631) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
PubChem CID56812631
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
SMILESCCN1CCN(CCCCNC(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-21-12-14-22(15-13-21)11-5-4-10-20-19(23)18-8-6-17(7-9-18)16-24-2/h6-9H,3-5,10-16H2,1-2H3,(H,20,23)
InChIKeyQEJYSXGVJWZDBE-UHFFFAOYSA-N
XLogP1.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.98
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-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide (CID 56812631) is N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide is CCN1CCN(CCCCNC(=O)c2ccc(COC)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide?
The InChIKey is QEJYSXGVJWZDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-21-12-14-22(15-13-21)11-5-4-10-20-19(23)18-8-6-17(7-9-18)16-24-2/h6-9H,3-5,10-16H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide?
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide has a molecular weight of 333.48 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 56812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).