N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C15H25F3N2O3 — CID 110019274

IUPACN-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCO1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c16-15(17,18)13(21)11-5-8-20(9-6-11)14(22)19-7-4-12-3-1-2-10-23-12/h11-13,21H,1-10H2,(H,19,22)
InChIKeyBCQNXHBXNJZVQV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 110019274) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID110019274
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC NameN-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCO1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c16-15(17,18)13(21)11-5-8-20(9-6-11)14(22)19-7-4-12-3-1-2-10-23-12/h11-13,21H,1-10H2,(H,19,22)
InChIKeyBCQNXHBXNJZVQV-UHFFFAOYSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 122493176
1-(4-Hydroxycyclohexyl)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650203
3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 91650237
(1S,5S)-3-hydroxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 99823220
N-(2,6-dimethyloxan-4-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 109919486
3-hydroxy-4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
CID 109951282
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109970920
4-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971344
N-(2,6-dimethyloxan-4-yl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971491
2-(2-hydroxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 109979089
2-(2-hydroxyethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 109979092
4-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxamide
CID 110896184

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 110019274) is N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is O=C(NCCC1CCCCO1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is BCQNXHBXNJZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c16-15(17,18)13(21)11-5-8-20(9-6-11)14(22)19-7-4-12-3-1-2-10-23-12/h11-13,21H,1-10H2,(H,19,22).
What are the key properties of N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110019274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).