N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

C14H23F3N2O2 — CID 99827639

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-5-1-11(2-6-19)9-18-13(20)12-3-7-21-8-4-12/h11-12H,1-10H2,(H,18,20)
InChIKeyZMKGMDGQDYGNKM-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.80
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 99827639) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID99827639
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-5-1-11(2-6-19)9-18-13(20)12-3-7-21-8-4-12/h11-12H,1-10H2,(H,18,20)
InChIKeyZMKGMDGQDYGNKM-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
1-cyclopentyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 86817447
N-[[(3S)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 97012164
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
4-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 115151119
1-[[(2R)-2-methyloxolan-2-yl]methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 99827527
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
CID 99823226
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (CID 99827639) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)C1CCOCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is ZMKGMDGQDYGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-5-1-11(2-6-19)9-18-13(20)12-3-7-21-8-4-12/h11-12H,1-10H2,(H,18,20).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 99827639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).