(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H25F3N2O3 — CID 124730505

IUPAC(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[C@H]1OC
InChIInChI=1S/C15H25F3N2O3/c1-3-23-12-7-11(13(12)22-2)19-14(21)10-5-4-6-20(8-10)9-15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21)/t10-,11+,12-,13-/m1/s1
InChIKeyHNQANRQCLUDTLZ-YVECIDJPSA-N
MW338.37 g/mol
LogP1.57
Rot. Bonds6

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

(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 124730505) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID124730505
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[C@H]1OC
InChIInChI=1S/C15H25F3N2O3/c1-3-23-12-7-11(13(12)22-2)19-14(21)10-5-4-6-20(8-10)9-15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21)/t10-,11+,12-,13-/m1/s1
InChIKeyHNQANRQCLUDTLZ-YVECIDJPSA-N
XLogP1.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136582837
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
(3R)-N-[(2R)-2-[(S)-methylsulfinyl]propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241698
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
methyl 4-[[methyl-[(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 97061327
N-(4-propylphenyl)sulfonyl-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75417231
methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 124730505) is (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[C@H]1OC.
What is the InChIKey of (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HNQANRQCLUDTLZ-YVECIDJPSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-3-23-12-7-11(13(12)22-2)19-14(21)10-5-4-6-20(8-10)9-15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21)/t10-,11+,12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124730505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).