[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate

C15H19F3N2O4 — CID 164635389

IUPAC[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)c(C(F)(F)F)o1
InChIInChI=1S/C15H19F3N2O4/c1-9-7-11(12(23-9)15(16,17)18)13(21)20-6-4-5-10(8-20)24-14(22)19(2)3/h7,10H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyBPZRRXKSZZWSOX-JTQLQIEISA-N
MW348.32 g/mol
LogP2.91
Rot. Bonds2

About [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate

[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate (PubChem CID 164635389) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate
PubChem CID164635389
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Name[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate
SMILESCc1cc(C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)c(C(F)(F)F)o1
InChIInChI=1S/C15H19F3N2O4/c1-9-7-11(12(23-9)15(16,17)18)13(21)20-6-4-5-10(8-20)24-14(22)19(2)3/h7,10H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyBPZRRXKSZZWSOX-JTQLQIEISA-N
XLogP2.91
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylfuran-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100641925
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
(3S)-3-(dimethylcarbamoyloxy)pyrrolidine-1-carboxylic acid
CID 135304476
ethyl 4-[6-methyl-2-[1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 3872183
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
(2,5-dimethylfuran-3-yl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004396
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395
[(3S)-1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 164631279
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate (CID 164635389) is [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate is Cc1cc(C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)c(C(F)(F)F)o1.
What is the InChIKey of [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate?
The InChIKey is BPZRRXKSZZWSOX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-9-7-11(12(23-9)15(16,17)18)13(21)20-6-4-5-10(8-20)24-14(22)19(2)3/h7,10H,4-6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate?
[(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate has a molecular weight of 348.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidin-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 164635389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).