prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate

C17H19F3N2O3 — CID 108566004

IUPACprop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O3/c1-2-11-25-16(24)21-12-7-9-22(10-8-12)15(23)13-5-3-4-6-14(13)17(18,19)20/h2-6,12H,1,7-11H2,(H,21,24)
InChIKeyLJAYPIOCUZARHF-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.22
Rot. Bonds4

About prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate

prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate (PubChem CID 108566004) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
PubChem CID108566004
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nameprop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O3/c1-2-11-25-16(24)21-12-7-9-22(10-8-12)15(23)13-5-3-4-6-14(13)17(18,19)20/h2-6,12H,1,7-11H2,(H,21,24)
InChIKeyLJAYPIOCUZARHF-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
CID 166406699
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
1-(2-amino-2-cyclopropylethyl)-3-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]urea
CID 146133912
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
tert-butyl N-[3-oxo-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]propyl]carbamate
CID 108548270
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
prop-2-enyl N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]carbamate
CID 108564579
prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564007
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate (CID 108566004) is prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
The InChIKey is LJAYPIOCUZARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-2-11-25-16(24)21-12-7-9-22(10-8-12)15(23)13-5-3-4-6-14(13)17(18,19)20/h2-6,12H,1,7-11H2,(H,21,24).
What are the key properties of prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate?
prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate has a molecular weight of 356.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108566004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).