tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate

C18H25FN2O3 — CID 71623364

IUPACtert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21,12-15(20)22)13-6-4-5-7-14(13)19/h4-7H,8-12H2,1-3H3,(H2,20,22)
InChIKeyMXNCMZLPCUEQHJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate

tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate (PubChem CID 71623364) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
PubChem CID71623364
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21,12-15(20)22)13-6-4-5-7-14(13)19/h4-7H,8-12H2,1-3H3,(H2,20,22)
InChIKeyMXNCMZLPCUEQHJ-UHFFFAOYSA-N
XLogP2.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-ethyl-4-(2-fluorophenyl)azepane-1-carboxylate
CID 123459614
tert-butyl 4-(2-amino-2-oxoethyl)-4-phenylpiperidine-1-carboxylate;toluene
CID 143255426
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
CID 18794739
tert-butyl 4-[1,5-bis(2-fluorophenyl)-4-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-oxopentan-2-yl]-4-methylpiperidine-1-carboxylate
CID 174479489
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]acetic acid
CID 42544072
tert-butyl (2E)-2-hydroxyiminospiro[1H-indene-3,4'-piperidine]-1'-carboxylate
CID 146482536
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
2-[3-(2-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140665
tert-butyl 7-(2-fluorophenyl)-7-isocyano-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 171410259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate (CID 71623364) is tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(N)=O)(c2ccccc2F)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is MXNCMZLPCUEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-17(2,3)24-16(23)21-10-8-18(9-11-21,12-15(20)22)13-6-4-5-7-14(13)19/h4-7H,8-12H2,1-3H3,(H2,20,22).
What are the key properties of tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 71623364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).