4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide

C15H24N4O — CID 63611183

IUPAC4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
SMILESCCC1CN(c2cc(C(=O)NC)ccc2N)CCN1C
InChIInChI=1S/C15H24N4O/c1-4-12-10-19(8-7-18(12)3)14-9-11(15(20)17-2)5-6-13(14)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyMAIFSVWBZUJENX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds3

About 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide

4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide (PubChem CID 63611183) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
PubChem CID63611183
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide
SMILESCCC1CN(c2cc(C(=O)NC)ccc2N)CCN1C
InChIInChI=1S/C15H24N4O/c1-4-12-10-19(8-7-18(12)3)14-9-11(15(20)17-2)5-6-13(14)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyMAIFSVWBZUJENX-UHFFFAOYSA-N
XLogP1.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
2-amino-5-(3-ethyl-4-methylpiperazin-1-yl)-4-fluorobenzoic acid
CID 63604256
methyl 5-amino-2-(3-ethyl-4-methylpiperazin-1-yl)benzoate
CID 63604074
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
3-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)benzenecarbothioamide
CID 63620501
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
5-chloro-2-(3-ethyl-4-methylpiperazin-1-yl)benzoic acid
CID 63604640
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide (CID 63611183) is 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide is CCC1CN(c2cc(C(=O)NC)ccc2N)CCN1C.
What is the InChIKey of 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide?
The InChIKey is MAIFSVWBZUJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12-10-19(8-7-18(12)3)14-9-11(15(20)17-2)5-6-13(14)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide?
4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 63611183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).