[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate

C11H15F3N2O5 — CID 175537571

IUPAC[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
SMILESNC(=O)OC(C[C@@H]1CCCNC1=O)C(=O)COC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c12-11(13,14)20-5-7(17)8(21-10(15)19)4-6-2-1-3-16-9(6)18/h6,8H,1-5H2,(H2,15,19)(H,16,18)/t6-,8?/m0/s1
InChIKeyZERNAOYXRUXBDW-UUEFVBAFSA-N
MW312.24 g/mol
LogP0.47
Rot. Bonds6

About [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate

[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate (PubChem CID 175537571) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate.

Molecular Properties

Compound Name[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
PubChem CID175537571
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
SMILESNC(=O)OC(C[C@@H]1CCCNC1=O)C(=O)COC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c12-11(13,14)20-5-7(17)8(21-10(15)19)4-6-2-1-3-16-9(6)18/h6,8H,1-5H2,(H2,15,19)(H,16,18)/t6-,8?/m0/s1
InChIKeyZERNAOYXRUXBDW-UUEFVBAFSA-N
XLogP0.47
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537570
[3-oxo-1-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)butan-2-yl] carbamate
CID 175537573
[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate
CID 175537602
(3S)-3-[(2S)-2-amino-3-oxo-4-(trifluoromethoxy)butyl]pyrrolidin-2-one;hydrochloride
CID 166170193
[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4,6,6-tetramethyl-1-oxoheptan-2-yl] carbamate
CID 162478928
[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
CID 175424255
1-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 167333819
[(2S)-4-[methyl(phenyl)phosphoryl]oxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] carbamate
CID 175537617
2-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxamide
CID 167333931
N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide
CID 166170393
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
3-[2-(trifluoromethoxy)ethyl]azepan-2-one
CID 104679592

Frequently Asked Questions

What is the IUPAC name of [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate?
The IUPAC name of [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate (CID 175537571) is [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate.
What is the SMILES notation for [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate?
The canonical SMILES for [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate is NC(=O)OC(C[C@@H]1CCCNC1=O)C(=O)COC(F)(F)F.
What is the InChIKey of [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate?
The InChIKey is ZERNAOYXRUXBDW-UUEFVBAFSA-N. The full InChI is InChI=1S/C11H15F3N2O5/c12-11(13,14)20-5-7(17)8(21-10(15)19)4-6-2-1-3-16-9(6)18/h6,8H,1-5H2,(H2,15,19)(H,16,18)/t6-,8?/m0/s1.
What are the key properties of [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate?
[3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate has a molecular weight of 312.24 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl] carbamate is sourced from PubChem (CID 175537571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).