N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C17H22FN3O3 — CID 56730429

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1CCC(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-20(2)15(23)10-19-17(24)12-8-9-14(22)21(3)16(12)11-6-4-5-7-13(11)18/h4-7,12,16H,8-10H2,1-3H3,(H,19,24)
InChIKeyRVSYOBZFZFEPEV-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 56730429) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID56730429
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1CCC(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C17H22FN3O3/c1-20(2)15(23)10-19-17(24)12-8-9-14(22)21(3)16(12)11-6-4-5-7-13(11)18/h4-7,12,16H,8-10H2,1-3H3,(H,19,24)
InChIKeyRVSYOBZFZFEPEV-UHFFFAOYSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 56730429) is N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is CN(C)C(=O)CNC(=O)C1CCC(=O)N(C)C1c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is RVSYOBZFZFEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-20(2)15(23)10-19-17(24)12-8-9-14(22)21(3)16(12)11-6-4-5-7-13(11)18/h4-7,12,16H,8-10H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56730429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).