tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate

C19H24F4N2O4 — CID 71512903

IUPACtert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C19H24F4N2O4/c1-18(2,3)29-17(27)24-13-7-9-25(10-8-13)15(26)12-5-4-6-14(11-12)28-19(22,23)16(20)21/h4-6,11,13,16H,7-10H2,1-3H3,(H,24,27)
InChIKeyLJQSVUFTRJYQIJ-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.05
Rot. Bonds5

About tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate (PubChem CID 71512903) has the molecular formula C19H24F4N2O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate
PubChem CID71512903
Molecular FormulaC19H24F4N2O4
Molecular Weight420.40 g/mol
Exact Mass420.17
IUPAC Nametert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1
InChIInChI=1S/C19H24F4N2O4/c1-18(2,3)29-17(27)24-13-7-9-25(10-8-13)15(26)12-5-4-6-14(11-12)28-19(22,23)16(20)21/h4-6,11,13,16H,7-10H2,1-3H3,(H,24,27)
InChIKeyLJQSVUFTRJYQIJ-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
(4-aminopiperidin-1-yl)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 71514931
[3-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108548117
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
CID 55736386
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 55904279
2-chloroethyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564006
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55972015
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate (CID 71512903) is tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate?
The InChIKey is LJQSVUFTRJYQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N2O4/c1-18(2,3)29-17(27)24-13-7-9-25(10-8-13)15(26)12-5-4-6-14(11-12)28-19(22,23)16(20)21/h4-6,11,13,16H,7-10H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate has a molecular weight of 420.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71512903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).