(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C12H21F3N2O3 — CID 99847417

IUPAC(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOC[C@@H](O)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c1-20-7-10(18)6-17-4-2-3-9(5-17)11(19)16-8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19)/t9-,10+/m1/s1
InChIKeyVAWTWTPOANUCQY-ZJUUUORDSA-N
MW298.31 g/mol
LogP0.38
Rot. Bonds6

About (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 99847417) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID99847417
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCOC[C@@H](O)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c1-20-7-10(18)6-17-4-2-3-9(5-17)11(19)16-8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19)/t9-,10+/m1/s1
InChIKeyVAWTWTPOANUCQY-ZJUUUORDSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439224
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131688
N-(2-aminoethyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63900483
1-(2-hydroxy-3-methoxypropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988711
N-cyclohexyl-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 75507573
(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129484
(3R)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129589
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81658491
(3S)-1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086172
(3R)-1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 96086173

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 99847417) is (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is COC[C@@H](O)CN1CCC[C@@H](C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is VAWTWTPOANUCQY-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-20-7-10(18)6-17-4-2-3-9(5-17)11(19)16-8-12(13,14)15/h9-10,18H,2-8H2,1H3,(H,16,19)/t9-,10+/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 99847417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).