N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide

C12H19F3N2O — CID 165434516

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)C1CCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-4-10(5-7-17)16-11(18)9-2-1-3-9/h9-10H,1-8H2,(H,16,18)
InChIKeyRDTYMKKJMFKBMC-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 165434516) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID165434516
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)C1CCC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-4-10(5-7-17)16-11(18)9-2-1-3-9/h9-10H,1-8H2,(H,16,18)
InChIKeyRDTYMKKJMFKBMC-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
N-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]cyclobutanecarboxamide
CID 99775471
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 166343555
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136582837
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
CID 115709475
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropyl-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 154753718
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37472472

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide (CID 165434516) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)C1CCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is RDTYMKKJMFKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)8-17-6-4-10(5-7-17)16-11(18)9-2-1-3-9/h9-10H,1-8H2,(H,16,18).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 264.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 165434516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).