[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid

C15H15BrFN3O2 — CID 135145610

IUPAC[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2ccnc3c(F)cc(Br)cc23)C1
InChIInChI=1S/C15H15BrFN3O2/c16-9-6-11-13(3-4-18-14(11)12(17)7-9)20-5-1-2-10(8-20)19-15(21)22/h3-4,6-7,10,19H,1-2,5,8H2,(H,21,22)/t10-/m1/s1
InChIKeyPJPQSTRKAHLWBU-SNVBAGLBSA-N
MW368.21 g/mol
LogP3.37
Rot. Bonds2

About [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid

[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid (PubChem CID 135145610) has the molecular formula C15H15BrFN3O2 and a molecular weight of 368.21 g/mol. Its IUPAC name is [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid
PubChem CID135145610
Molecular FormulaC15H15BrFN3O2
Molecular Weight368.21 g/mol
Exact Mass367.03
IUPAC Name[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2ccnc3c(F)cc(Br)cc23)C1
InChIInChI=1S/C15H15BrFN3O2/c16-9-6-11-13(3-4-18-14(11)12(17)7-9)20-5-1-2-10(8-20)19-15(21)22/h3-4,6-7,10,19H,1-2,5,8H2,(H,21,22)/t10-/m1/s1
InChIKeyPJPQSTRKAHLWBU-SNVBAGLBSA-N
XLogP3.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[8-fluoro-6-[5-(pyridin-3-ylmethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]quinolin-4-yl]piperidin-3-yl]carbamic acid
CID 135145739
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
6,8-difluoro-4-(3-methylsulfanylazepan-1-yl)quinoline
CID 133494940
[1-(2-amino-4-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 118296358
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135335154
tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133293124
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid (CID 135145610) is [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCCN(c2ccnc3c(F)cc(Br)cc23)C1.
What is the InChIKey of [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid?
The InChIKey is PJPQSTRKAHLWBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrFN3O2/c16-9-6-11-13(3-4-18-14(11)12(17)7-9)20-5-1-2-10(8-20)19-15(21)22/h3-4,6-7,10,19H,1-2,5,8H2,(H,21,22)/t10-/m1/s1.
What are the key properties of [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid?
[(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid has a molecular weight of 368.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-bromo-8-fluoroquinolin-4-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 135145610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).