N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide

C19H22F3N3O3 — CID 166406699

IUPACN-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O3/c1-3-17(27)24(2)12-16(26)23-13-8-10-25(11-9-13)18(28)14-6-4-5-7-15(14)19(20,21)22/h3-7,13H,1,8-12H2,2H3,(H,23,26)
InChIKeyORQCPBJQOZQBAP-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.07
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide (PubChem CID 166406699) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
PubChem CID166406699
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H22F3N3O3/c1-3-17(27)24(2)12-16(26)23-13-8-10-25(11-9-13)18(28)14-6-4-5-7-15(14)19(20,21)22/h3-7,13H,1,8-12H2,2H3,(H,23,26)
InChIKeyORQCPBJQOZQBAP-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide (CID 166406699) is N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide?
The InChIKey is ORQCPBJQOZQBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-3-17(27)24(2)12-16(26)23-13-8-10-25(11-9-13)18(28)14-6-4-5-7-15(14)19(20,21)22/h3-7,13H,1,8-12H2,2H3,(H,23,26).
What are the key properties of N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide has a molecular weight of 397.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166406699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).