ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide

C17H28F3N3O2 — CID 143697670

IUPACethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
SMILESC.CC.CC(=O)Nc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H18F3N3O2.C2H6.CH4/c1-10(21)18-12-9-11(20-7-5-19(2)6-8-20)3-4-13(12)22-14(15,16)17;1-2;/h3-4,9H,5-8H2,1-2H3,(H,18,21);1-2H3;1H4
InChIKeyNYGBRIAIVXXUCH-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.96
Rot. Bonds3

About ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide

ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 143697670) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Nameethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
PubChem CID143697670
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC Nameethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
SMILESC.CC.CC(=O)Nc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H18F3N3O2.C2H6.CH4/c1-10(21)18-12-9-11(20-7-5-19(2)6-8-20)3-4-13(12)22-14(15,16)17;1-2;/h3-4,9H,5-8H2,1-2H3,(H,18,21);1-2H3;1H4
InChIKeyNYGBRIAIVXXUCH-UHFFFAOYSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
CID 59454307
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
potassium 1-methyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68668478
1-ethyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 56664839
2-acetamido-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 50782983
5-[2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylic acid
CID 87559688
8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
CID 123342735
N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 59454366
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide (CID 143697670) is ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide is C.CC.CC(=O)Nc1cc(N2CCN(C)CC2)ccc1OC(F)(F)F.
What is the InChIKey of ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NYGBRIAIVXXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.C2H6.CH4/c1-10(21)18-12-9-11(20-7-5-19(2)6-8-20)3-4-13(12)22-14(15,16)17;1-2;/h3-4,9H,5-8H2,1-2H3,(H,18,21);1-2H3;1H4.
What are the key properties of ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide?
ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 143697670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).