tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate

C23H34FNO5 — CID 178162914

IUPACtert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate
SMILESCOC(=O)C(c1cc(C(C)C)cc(F)c1OC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34FNO5/c1-14(2)16-12-17(20(28-6)18(24)13-16)19(21(26)29-7)15-8-10-25(11-9-15)22(27)30-23(3,4)5/h12-15,19H,8-11H2,1-7H3
InChIKeyGYDSTRYLYHERJR-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.86
Rot. Bonds5

About tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 178162914) has the molecular formula C23H34FNO5 and a molecular weight of 423.53 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate
PubChem CID178162914
Molecular FormulaC23H34FNO5
Molecular Weight423.53 g/mol
Exact Mass423.24
IUPAC Nametert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate
SMILESCOC(=O)C(c1cc(C(C)C)cc(F)c1OC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H34FNO5/c1-14(2)16-12-17(20(28-6)18(24)13-16)19(21(26)29-7)15-8-10-25(11-9-15)22(27)30-23(3,4)5/h12-15,19H,8-11H2,1-7H3
InChIKeyGYDSTRYLYHERJR-UHFFFAOYSA-N
XLogP4.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl 4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidine-1-carboxylate
CID 44592508
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 4-[(3-chloro-5-methoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 155220782
tert-butyl 4-[(2,5-difluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 69344572
3-fluoro-5-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethylamino]-4-(trifluoromethoxy)benzoic acid
CID 166745598
tert-butyl 4-[(1S)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731661
tert-butyl 4-[(1R)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate (CID 178162914) is tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate is COC(=O)C(c1cc(C(C)C)cc(F)c1OC)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is GYDSTRYLYHERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FNO5/c1-14(2)16-12-17(20(28-6)18(24)13-16)19(21(26)29-7)15-8-10-25(11-9-15)22(27)30-23(3,4)5/h12-15,19H,8-11H2,1-7H3.
What are the key properties of tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 423.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-2-methoxy-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 178162914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).