[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid

C16H19F3N2O5 — CID 67529467

IUPAC[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O5/c1-10(20-15(23)24)14(22)21-8-6-12(7-9-21)25-11-2-4-13(5-3-11)26-16(17,18)19/h2-5,10,12,20H,6-9H2,1H3,(H,23,24)/t10-/m0/s1
InChIKeyVNSQSMQMNZWFMN-JTQLQIEISA-N
MW376.33 g/mol
LogP2.61
Rot. Bonds5

About [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid

[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid (PubChem CID 67529467) has the molecular formula C16H19F3N2O5 and a molecular weight of 376.33 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
PubChem CID67529467
Molecular FormulaC16H19F3N2O5
Molecular Weight376.33 g/mol
Exact Mass376.12
IUPAC Name[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O5/c1-10(20-15(23)24)14(22)21-8-6-12(7-9-21)25-11-2-4-13(5-3-11)26-16(17,18)19/h2-5,10,12,20H,6-9H2,1H3,(H,23,24)/t10-/m0/s1
InChIKeyVNSQSMQMNZWFMN-JTQLQIEISA-N
XLogP2.61
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
CID 124727874
ethyl 4-methylsulfonyloxypiperidine-1-carboxylate;ethyl 4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carboxylate
CID 87554936
triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 167314568
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
CID 162609210
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
[(2R)-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]-1-oxopropan-2-yl]urea
CID 94636207
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl] 1-(hydroxyamino)-1-oxo-2-phenylpropane-2-sulfinate
CID 18723095

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid (CID 67529467) is [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid?
The InChIKey is VNSQSMQMNZWFMN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F3N2O5/c1-10(20-15(23)24)14(22)21-8-6-12(7-9-21)25-11-2-4-13(5-3-11)26-16(17,18)19/h2-5,10,12,20H,6-9H2,1H3,(H,23,24)/t10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid?
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid has a molecular weight of 376.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 67529467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).