1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

C19H27FN2O3 — CID 45209731

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H27FN2O3/c1-14(2)22(10-11-23)19(25)16-6-7-18(24)21(13-16)9-8-15-4-3-5-17(20)12-15/h3-5,12,14,16,23H,6-11,13H2,1-2H3
InChIKeyAMLGVIUMVUUUFW-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.84
Rot. Bonds7

About 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45209731) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID45209731
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H27FN2O3/c1-14(2)22(10-11-23)19(25)16-6-7-18(24)21(13-16)9-8-15-4-3-5-17(20)12-15/h3-5,12,14,16,23H,6-11,13H2,1-2H3
InChIKeyAMLGVIUMVUUUFW-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 45209731) is 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(CCO)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is AMLGVIUMVUUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-14(2)22(10-11-23)19(25)16-6-7-18(24)21(13-16)9-8-15-4-3-5-17(20)12-15/h3-5,12,14,16,23H,6-11,13H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45209731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).