N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide

C17H21F3N2O — CID 155344343

IUPACN-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O/c1-3-16(23)21-15-8-10-22(11-9-15)12(2)13-4-6-14(7-5-13)17(18,19)20/h3-7,12,15H,1,8-11H2,2H3,(H,21,23)
InChIKeyAGUJPRCSAORCQL-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.53
Rot. Bonds4

About N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide

N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide (PubChem CID 155344343) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
PubChem CID155344343
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O/c1-3-16(23)21-15-8-10-22(11-9-15)12(2)13-4-6-14(7-5-13)17(18,19)20/h3-7,12,15H,1,8-11H2,2H3,(H,21,23)
InChIKeyAGUJPRCSAORCQL-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56665469
N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126804629
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 86887618
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126795988
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]acetamide
CID 49437832
N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 155353601
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 154868569
1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 95159594
1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684
N-[1-[pyrazin-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 56661985

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide (CID 155344343) is N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(C(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide?
The InChIKey is AGUJPRCSAORCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-3-16(23)21-15-8-10-22(11-9-15)12(2)13-4-6-14(7-5-13)17(18,19)20/h3-7,12,15H,1,8-11H2,2H3,(H,21,23).
What are the key properties of N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide?
N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 326.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 155344343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).