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

C23H27FN2O3 — CID 110087370

IUPAC(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H27FN2O3/c1-4-26-21(27)14-13-20(22(26)17-7-11-19(29-3)12-8-17)23(28)25(2)15-16-5-9-18(24)10-6-16/h5-12,20,22H,4,13-15H2,1-3H3/t20-,22+/m1/s1
InChIKeyZHGQRNLNDKPZBT-IRLDBZIGSA-N
MW398.48 g/mol
LogP3.79
Rot. Bonds6

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

(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110087370) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110087370
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C23H27FN2O3/c1-4-26-21(27)14-13-20(22(26)17-7-11-19(29-3)12-8-17)23(28)25(2)15-16-5-9-18(24)10-6-16/h5-12,20,22H,4,13-15H2,1-3H3/t20-,22+/m1/s1
InChIKeyZHGQRNLNDKPZBT-IRLDBZIGSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 110087370) is (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ZHGQRNLNDKPZBT-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-4-26-21(27)14-13-20(22(26)17-7-11-19(29-3)12-8-17)23(28)25(2)15-16-5-9-18(24)10-6-16/h5-12,20,22H,4,13-15H2,1-3H3/t20-,22+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).