(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate

C20H22FN3O3 — CID 15950910

IUPAC(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate
SMILESNC(=O)c1cncc(OC(=O)N2CCC(CCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-15(10-17)5-4-14-6-8-24(9-7-14)20(26)27-18-11-16(19(22)25)12-23-13-18/h1-3,10-14H,4-9H2,(H2,22,25)
InChIKeyCVFLCWFVKDLVHV-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.16
Rot. Bonds5

About (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate

(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 15950910) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID15950910
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate
SMILESNC(=O)c1cncc(OC(=O)N2CCC(CCc3cccc(F)c3)CC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-15(10-17)5-4-14-6-8-24(9-7-14)20(26)27-18-11-16(19(22)25)12-23-13-18/h1-3,10-14H,4-9H2,(H2,22,25)
InChIKeyCVFLCWFVKDLVHV-UHFFFAOYSA-N
XLogP3.16
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate (CID 15950910) is (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate is NC(=O)c1cncc(OC(=O)N2CCC(CCc3cccc(F)c3)CC2)c1.
What is the InChIKey of (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is CVFLCWFVKDLVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-3-1-2-15(10-17)5-4-14-6-8-24(9-7-14)20(26)27-18-11-16(19(22)25)12-23-13-18/h1-3,10-14H,4-9H2,(H2,22,25).
What are the key properties of (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate?
(5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-3-pyridinyl) 4-[2-(3-fluorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 15950910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).