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

C18H25FN2O2 — CID 45172938

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C18H25FN2O2/c1-13(2)20(3)18(23)15-7-8-17(22)21(12-15)10-9-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3
InChIKeyYABFWCMTRZWUPH-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.47
Rot. Bonds5

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

1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 45172938) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID45172938
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C18H25FN2O2/c1-13(2)20(3)18(23)15-7-8-17(22)21(12-15)10-9-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3
InChIKeyYABFWCMTRZWUPH-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 45172938) is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is YABFWCMTRZWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)20(3)18(23)15-7-8-17(22)21(12-15)10-9-14-5-4-6-16(19)11-14/h4-6,11,13,15H,7-10,12H2,1-3H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 45172938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).