N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide

C16H19F3N2O3S — CID 155344254

IUPACN-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-15(22)20-13-7-9-21(10-8-13)11-12-3-5-14(6-4-12)25(23,24)16(17,18)19/h2-6,13H,1,7-11H2,(H,20,22)
InChIKeyNZPPYTQAEHMOKX-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.25
Rot. Bonds5

About N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide

N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide (PubChem CID 155344254) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
PubChem CID155344254
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-2-15(22)20-13-7-9-21(10-8-13)11-12-3-5-14(6-4-12)25(23,24)16(17,18)19/h2-6,13H,1,7-11H2,(H,20,22)
InChIKeyNZPPYTQAEHMOKX-UHFFFAOYSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethylsulfonyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710397
N-methyl-4-(prop-2-enoylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 155353601
N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 146256746
N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567282
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
CID 63355492
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide (CID 155344254) is N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The InChIKey is NZPPYTQAEHMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-2-15(22)20-13-7-9-21(10-8-13)11-12-3-5-14(6-4-12)25(23,24)16(17,18)19/h2-6,13H,1,7-11H2,(H,20,22).
What are the key properties of N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 376.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 155344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).