(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide

C13H16FN3O2 — CID 103808664

IUPAC(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-10-5-4-8(7-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m1/s1
InChIKeyGRYYOGYOLZZPSB-LLVKDONJSA-N
MW265.29 g/mol
LogP1.01
Rot. Bonds3

About (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide

(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide (PubChem CID 103808664) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
PubChem CID103808664
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1F
InChIInChI=1S/C13H16FN3O2/c14-10-5-4-8(7-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m1/s1
InChIKeyGRYYOGYOLZZPSB-LLVKDONJSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide (CID 103808664) is (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide is NC(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1F.
What is the InChIKey of (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is GRYYOGYOLZZPSB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-5-4-8(7-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide?
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).