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

C15H21F3N4O — CID 170994837

IUPAC4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21-6-8-22(9-7-21)5-4-20-14(23)12-3-2-11(19)10-13(12)15(16,17)18/h2-3,10H,4-9,19H2,1H3,(H,20,23)
InChIKeyZDBQHJNVBKBDEL-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.26
Rot. Bonds4

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

4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 170994837) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID170994837
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(N)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-21-6-8-22(9-7-21)5-4-20-14(23)12-3-2-11(19)10-13(12)15(16,17)18/h2-3,10H,4-9,19H2,1H3,(H,20,23)
InChIKeyZDBQHJNVBKBDEL-UHFFFAOYSA-N
XLogP1.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.26
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-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
(4-amino-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-amino-2-(trifluoromethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 161210202
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862
methyl 4-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]piperazine-1-carboxylate;hydrochloride
CID 71782884
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 91180816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 170994837) is 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is CN1CCN(CCNC(=O)c2ccc(N)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZDBQHJNVBKBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-21-6-8-22(9-7-21)5-4-20-14(23)12-3-2-11(19)10-13(12)15(16,17)18/h2-3,10H,4-9,19H2,1H3,(H,20,23).
What are the key properties of 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide?
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 330.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 170994837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).