2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide

C11H15F3N2O2 — CID 108932925

IUPAC2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide
SMILESC=CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-2-9(17)16-5-3-8(4-6-16)7-15-10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,18)
InChIKeyIDZJMFAXGSHTDR-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.09
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide

2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide (PubChem CID 108932925) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide
PubChem CID108932925
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide
SMILESC=CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O2/c1-2-9(17)16-5-3-8(4-6-16)7-15-10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,18)
InChIKeyIDZJMFAXGSHTDR-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.09
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

1-((piperidin-4-yl)methyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 71758084
N-Methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
CID 23034625
1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 61791959
1-[4-(Trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
CID 65534642
1-(3,3-Difluoro-4-methylpiperidin-1-yl)prop-2-en-1-one
CID 156532081
1-[(3R)-3-(trifluoromethyl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 176081172
1-[(3S)-3-(trifluoromethyl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 176081188
4-(Acrylamidomethyl)piperidine
CID 61792155
N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 71684083
4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 71983929
(2E,4E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]hexa-2,4-dienamide
CID 75408168
(E)-4,4-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pent-2-enamide
CID 75408169

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide (CID 108932925) is 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide is C=CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IDZJMFAXGSHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-9(17)16-5-3-8(4-6-16)7-15-10(18)11(12,13)14/h2,8H,1,3-7H2,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 108932925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).