ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate

C18H24F3N3O2 — CID 7356612

IUPACethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCO/C(=N\C(=O)c1cccc(C(F)(F)F)c1)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H24F3N3O2/c1-4-26-17(24(3)15-8-10-23(2)11-9-15)22-16(25)13-6-5-7-14(12-13)18(19,20)21/h5-7,12,15H,4,8-11H2,1-3H3/b22-17-
InChIKeyCIJNYYLRFWFTRA-XLNRJJMWSA-N
MW371.40 g/mol
LogP3.26
Rot. Bonds3

About ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate

ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate (PubChem CID 7356612) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate.

Molecular Properties

Compound Nameethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate
PubChem CID7356612
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Nameethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate
SMILESCCO/C(=N\C(=O)c1cccc(C(F)(F)F)c1)N(C)C1CCN(C)CC1
InChIInChI=1S/C18H24F3N3O2/c1-4-26-17(24(3)15-8-10-23(2)11-9-15)22-16(25)13-6-5-7-14(12-13)18(19,20)21/h5-7,12,15H,4,8-11H2,1-3H3/b22-17-
InChIKeyCIJNYYLRFWFTRA-XLNRJJMWSA-N
XLogP3.26
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 46125916
ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7301572
propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7265416
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
propan-2-yl 4-ethyl-N-[3-(trifluoromethyl)benzoyl]piperazine-1-carboximidate
CID 3886112
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
ethyl 4-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45177097
ethyl 2-methyl-2-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propanoate
CID 59447369
ethyl 2-(1-methylpyrrolidin-3-yl)oxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]acetate
CID 154179479

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate?
The IUPAC name of ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate (CID 7356612) is ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate.
What is the SMILES notation for ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate?
The canonical SMILES for ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate is CCO/C(=N\C(=O)c1cccc(C(F)(F)F)c1)N(C)C1CCN(C)CC1.
What is the InChIKey of ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate?
The InChIKey is CIJNYYLRFWFTRA-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-4-26-17(24(3)15-8-10-23(2)11-9-15)22-16(25)13-6-5-7-14(12-13)18(19,20)21/h5-7,12,15H,4,8-11H2,1-3H3/b22-17-.
What are the key properties of ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate?
ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate has a molecular weight of 371.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(1-methylpiperidin-4-yl)-N'-[3-(trifluoromethyl)benzoyl]carbamimidate is sourced from PubChem (CID 7356612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).