tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate

C21H29FN2O3 — CID 55972279

IUPACtert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1
InChIInChI=1S/C21H29FN2O3/c1-20(2,3)27-19(26)23-17-9-13-24(14-10-17)18(25)21(11-4-12-21)15-5-7-16(22)8-6-15/h5-8,17H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyWYEBSTVXWNWVGD-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate (PubChem CID 55972279) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
PubChem CID55972279
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Nametert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1
InChIInChI=1S/C21H29FN2O3/c1-20(2,3)27-19(26)23-17-9-13-24(14-10-17)18(25)21(11-4-12-21)15-5-7-16(22)8-6-15/h5-8,17H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyWYEBSTVXWNWVGD-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206
tert-butyl N-[1-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperidin-4-yl]carbamate
CID 55868607
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 49352658
1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55671092
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate
CID 178203068
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
CID 55971633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate (CID 55972279) is tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate?
The InChIKey is WYEBSTVXWNWVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-20(2,3)27-19(26)23-17-9-13-24(14-10-17)18(25)21(11-4-12-21)15-5-7-16(22)8-6-15/h5-8,17H,4,9-14H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate has a molecular weight of 376.47 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55972279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).