3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C14H22N4O — CID 54861059

IUPAC3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10,15H2,1H3,(H,16,19)
InChIKeyJJCFIXMQUXTMIR-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 54861059) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID54861059
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10,15H2,1H3,(H,16,19)
InChIKeyJJCFIXMQUXTMIR-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
3-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119849558
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 170994837
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 54861059) is 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CN1CCN(CCNC(=O)c2cccc(N)c2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is JJCFIXMQUXTMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-9-18(10-8-17)6-5-16-14(19)12-3-2-4-13(15)11-12/h2-4,11H,5-10,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 54861059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).