(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate

C13H14FN3O2 — CID 175772814

IUPAC(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ncc2[nH]ccc2c1F)N1CCCCC1
InChIInChI=1S/C13H14FN3O2/c14-11-9-4-5-15-10(9)8-16-12(11)19-13(18)17-6-2-1-3-7-17/h4-5,8,15H,1-3,6-7H2
InChIKeyHWMQQMFEWLARTL-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.69
Rot. Bonds1

About (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate

(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate (PubChem CID 175772814) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
PubChem CID175772814
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ncc2[nH]ccc2c1F)N1CCCCC1
InChIInChI=1S/C13H14FN3O2/c14-11-9-4-5-15-10(9)8-16-12(11)19-13(18)17-6-2-1-3-7-17/h4-5,8,15H,1-3,6-7H2
InChIKeyHWMQQMFEWLARTL-UHFFFAOYSA-N
XLogP2.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
1H-indol-4-yl piperazine-1-carboxylate
CID 152749012
1,2-oxazol-5-yl piperidine-1-carboxylate
CID 24866165
(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate
CID 150983227
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
[5-(aminomethyl)-3-chloropyrazin-2-yl] azetidine-1-carboxylate
CID 177314415
[4-(2,3,4-trifluorophenyl)phenyl] piperidine-1-carboxylate
CID 175360076

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate?
The IUPAC name of (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate (CID 175772814) is (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate.
What is the SMILES notation for (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate?
The canonical SMILES for (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate is O=C(Oc1ncc2[nH]ccc2c1F)N1CCCCC1.
What is the InChIKey of (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate?
The InChIKey is HWMQQMFEWLARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-11-9-4-5-15-10(9)8-16-12(11)19-13(18)17-6-2-1-3-7-17/h4-5,8,15H,1-3,6-7H2.
What are the key properties of (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate?
(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate is sourced from PubChem (CID 175772814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).