(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C22H24F2N2O2 — CID 110087368

IUPAC(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1F
InChIInChI=1S/C22H24F2N2O2/c1-3-26-20(27)13-12-18(21(26)17-6-4-5-7-19(17)24)22(28)25(2)14-15-8-10-16(23)11-9-15/h4-11,18,21H,3,12-14H2,1-2H3/t18-,21+/m1/s1
InChIKeyMKACRZVXFNNKOE-NQIIRXRSSA-N
MW386.44 g/mol
LogP3.92
Rot. Bonds5

About (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110087368) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110087368
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1F
InChIInChI=1S/C22H24F2N2O2/c1-3-26-20(27)13-12-18(21(26)17-6-4-5-7-19(17)24)22(28)25(2)14-15-8-10-16(23)11-9-15/h4-11,18,21H,3,12-14H2,1-2H3/t18-,21+/m1/s1
InChIKeyMKACRZVXFNNKOE-NQIIRXRSSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 110087368) is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is MKACRZVXFNNKOE-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-3-26-20(27)13-12-18(21(26)17-6-4-5-7-19(17)24)22(28)25(2)14-15-8-10-16(23)11-9-15/h4-11,18,21H,3,12-14H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).