4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

C16H26N4O — CID 119901794

IUPAC4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
SMILESCCN1CCN(CCNC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-9-11-20(12-10-19)8-7-18-16(21)15-5-3-14(13-17)4-6-15/h3-6H,2,7-13,17H2,1H3,(H,18,21)
InChIKeyDSOTYGPNQPGHKG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.51
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide

4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide (PubChem CID 119901794) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
PubChem CID119901794
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
SMILESCCN1CCN(CCNC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-19-9-11-20(12-10-19)8-7-18-16(21)15-5-3-14(13-17)4-6-15/h3-6H,2,7-13,17H2,1H3,(H,18,21)
InChIKeyDSOTYGPNQPGHKG-UHFFFAOYSA-N
XLogP0.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
CID 144530441
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 50815603
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
N-[4-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327513
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide (CID 119901794) is 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide is CCN1CCN(CCNC(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is DSOTYGPNQPGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-19-9-11-20(12-10-19)8-7-18-16(21)15-5-3-14(13-17)4-6-15/h3-6H,2,7-13,17H2,1H3,(H,18,21).
What are the key properties of 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide?
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 119901794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).