tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate

C21H24FN3O2 — CID 134229275

IUPACtert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate
SMILESCC1C[C@H](c2cc(F)c(C#N)c3ncccc23)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H24FN3O2/c1-13-8-14(12-25(11-13)20(26)27-21(2,3)4)16-9-18(22)17(10-23)19-15(16)6-5-7-24-19/h5-7,9,13-14H,8,11-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyUYOZRPFBVPHQNG-KZUDCZAMSA-N
MW369.44 g/mol
LogP4.61
Rot. Bonds1

About tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate

tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate (PubChem CID 134229275) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate
PubChem CID134229275
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Nametert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate
SMILESCC1C[C@H](c2cc(F)c(C#N)c3ncccc23)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C21H24FN3O2/c1-13-8-14(12-25(11-13)20(26)27-21(2,3)4)16-9-18(22)17(10-23)19-15(16)6-5-7-24-19/h5-7,9,13-14H,8,11-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyUYOZRPFBVPHQNG-KZUDCZAMSA-N
XLogP4.61
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

5-[(3R,5R)-5-methyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229173
5-[(3R,5R)-5-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229210
5-[(3R,5R)-5-methyl-1-[2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
CID 134229300
1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 134229340
5-[5-Methyl-1-[(1-methyl-3-pyrrolidinyl)methyl]-3-piperidinyl]-8-quinolinecarbonitrile
CID 134237203
(3R,5R)-3-(8-cyanoquinolin-5-yl)-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 134237255
5-(2-Methylquinolin-7-yl)-2-(pyridin-3-yl)benzonitrile
CID 46888047
Quinoline 2
CID 91801114
tert-butyl 4-[3-[(Z)-1-cyano-2-isoquinolin-5-ylethenyl]indole-1-carbonyl]piperidine-1-carboxylate
CID 124124882
7,8-Dimethylquinoline-5-carbonitrile
CID 146049411
8-(Fluoromethyl)quinoline-5-carbonitrile
CID 66552705
Tert-butyl 8,9-dihydrobenzo[g]indole-1-carboxylate
CID 24766114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate (CID 134229275) is tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate is CC1C[C@H](c2cc(F)c(C#N)c3ncccc23)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate?
The InChIKey is UYOZRPFBVPHQNG-KZUDCZAMSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-13-8-14(12-25(11-13)20(26)27-21(2,3)4)16-9-18(22)17(10-23)19-15(16)6-5-7-24-19/h5-7,9,13-14H,8,11-12H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate?
tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(8-cyano-7-fluoroquinolin-5-yl)-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 134229275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).