3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide

C15H24N4O — CID 83000329

IUPAC3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCN(CC)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-17-15(20)12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyUJSMCIQKDAVKTH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide

3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide (PubChem CID 83000329) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
PubChem CID83000329
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCN(CC)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-17-15(20)12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20)
InChIKeyUJSMCIQKDAVKTH-UHFFFAOYSA-N
XLogP1.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.16
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-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-4-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)benzamide
CID 100633265
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
CID 82999412
ethyl 4-amino-3-(4-ethylpiperazin-1-yl)benzoate
CID 82785705

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide (CID 83000329) is 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide is CCNC(=O)c1ccc(N2CCN(CC)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide?
The InChIKey is UJSMCIQKDAVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-17-15(20)12-5-6-14(13(16)11-12)19-9-7-18(4-2)8-10-19/h5-6,11H,3-4,7-10,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide?
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide is sourced from PubChem (CID 83000329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).