tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate

C18H22F3N3O2 — CID 160905501

IUPACtert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(C2=Nc3ccc(F)cc3C2)CCC1(F)F
InChIInChI=1S/C18H22F3N3O2/c1-17(2,3)26-16(25)23-14-10-24(7-6-18(14,20)21)15-9-11-8-12(19)4-5-13(11)22-15/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeySQBYDFLBDFRXEN-CQSZACIVSA-N
MW369.39 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate (PubChem CID 160905501) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate
PubChem CID160905501
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Nametert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CN(C2=Nc3ccc(F)cc3C2)CCC1(F)F
InChIInChI=1S/C18H22F3N3O2/c1-17(2,3)26-16(25)23-14-10-24(7-6-18(14,20)21)15-9-11-8-12(19)4-5-13(11)22-15/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeySQBYDFLBDFRXEN-CQSZACIVSA-N
XLogP3.65
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-4,4-difluoropiperidin-3-yl]carbamate
CID 155154614
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[(3R)-1-[[3-amino-5-(6-methyl-3-pyridinyl)phenyl]methyl]-4,4-difluoropiperidin-3-yl]carbamate
CID 164543157
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 153288878
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-azaspiro[2.5]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70347127
tert-butyl N-[1-[(5Z)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]pyrrolidin-3-yl]carbamate
CID 143842334
tert-butyl N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]carbamate
CID 53255560
tert-butyl N-[(3R,4R)-1-(5,6-difluoro-3H-indol-2-yl)-4-fluoropiperidin-3-yl]carbamate;methyl 2-bromoacetate;methyl 2-[5,6-difluoro-2-[(3R,4R)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzimidazol-1-yl]acetate
CID 159086253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate (CID 160905501) is tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CN(C2=Nc3ccc(F)cc3C2)CCC1(F)F.
What is the InChIKey of tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate?
The InChIKey is SQBYDFLBDFRXEN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-17(2,3)26-16(25)23-14-10-24(7-6-18(14,20)21)15-9-11-8-12(19)4-5-13(11)22-15/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate has a molecular weight of 369.39 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-4,4-difluoro-1-(5-fluoro-3H-indol-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 160905501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).