(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

C20H30N2O5 — CID 110087723

IUPAC(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C20H30N2O5/c1-6-22-18(23)10-9-16(20(24)21(2)11-12-25-3)19(22)15-8-7-14(26-4)13-17(15)27-5/h7-8,13,16,19H,6,9-12H2,1-5H3/t16-,19+/m1/s1
InChIKeyBTJJTAVPKQUXQB-APWZRJJASA-N
MW378.47 g/mol
LogP2.11
Rot. Bonds8

About (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110087723) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110087723
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C20H30N2O5/c1-6-22-18(23)10-9-16(20(24)21(2)11-12-25-3)19(22)15-8-7-14(26-4)13-17(15)27-5/h7-8,13,16,19H,6,9-12H2,1-5H3/t16-,19+/m1/s1
InChIKeyBTJJTAVPKQUXQB-APWZRJJASA-N
XLogP2.11
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

6-(2-Ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080992
6-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081642
6-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 69081717
6-(2,6-Dimethoxyphenyl)-1-(1-(4-(trifluoromethoxy)phenyl)ethyl)piperidin-2-one
CID 69081821
1-(4-(Trifluoromethoxy)benzyl)-6-(2,4,6-trimethoxyphenyl)piperidin-2-one
CID 69085032
6-(2,6-Dimethoxyphenyl)-1-(4-propoxybenzyl)piperidin-2-one
CID 69085230
6-(2,6-Dimethoxyphenyl)-1-(4-phenoxybenzyl)piperidin-2-one
CID 69085642
6-(2,6-Diethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69085689
6-(2,6-Dimethoxyphenyl)-4-methyl-1-(4-(trifluoromethoxy)benzyl)piperidin-2-one
CID 76332238
Morpholine, 4-(2,4-dimethoxybenzoyl)-
CID 104658
1-[4-[(2,4-Dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 1112833
3-acetyl-1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 2891138

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 110087723) is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is BTJJTAVPKQUXQB-APWZRJJASA-N. The full InChI is InChI=1S/C20H30N2O5/c1-6-22-18(23)10-9-16(20(24)21(2)11-12-25-3)19(22)15-8-7-14(26-4)13-17(15)27-5/h7-8,13,16,19H,6,9-12H2,1-5H3/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).