(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C8H13F3N2O2 — CID 107224960

IUPAC(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC[C@H](O)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(14)4-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyLSLNDXABKWNKDA-LURJTMIESA-N
MW226.20 g/mol
LogP0.71
Rot. Bonds1

About (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 107224960) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID107224960
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC[C@H](O)C1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(14)4-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1
InChIKeyLSLNDXABKWNKDA-LURJTMIESA-N
XLogP0.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 51356760
(3S,4R,5R)-N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 51357033
N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide
CID 69266893
N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 75631617
N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide
CID 88945088
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(4R,5R)-3-(difluoromethyl)-4,5-dihydroxy-N-propylpiperidine-1-carboxamide
CID 134386661
(4R,5R)-N-butyl-3-(difluoromethyl)-4,5-dihydroxypiperidine-1-carboxamide
CID 134386672
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 107224960) is (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is LSLNDXABKWNKDA-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-7(15)13-3-1-2-6(14)4-13/h6,14H,1-5H2,(H,12,15)/t6-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 107224960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).