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

C14H19FN2O2 — CID 81124349

IUPAC(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-13-8-11(15)5-6-12(13)17-14(18)10-4-3-7-16-9-10/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQDFSDDNOSDMXPJ-SNVBAGLBSA-N
MW266.32 g/mol
LogP2.16
Rot. Bonds4

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

(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 81124349) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
PubChem CID81124349
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C14H19FN2O2/c1-2-19-13-8-11(15)5-6-12(13)17-14(18)10-4-3-7-16-9-10/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQDFSDDNOSDMXPJ-SNVBAGLBSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide (CID 81124349) is (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide is CCOc1cc(F)ccc1NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is QDFSDDNOSDMXPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-19-13-8-11(15)5-6-12(13)17-14(18)10-4-3-7-16-9-10/h5-6,8,10,16H,2-4,7,9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide?
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).