(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide

C21H33N3O3 — CID 110087157

IUPAC(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1C
InChIInChI=1S/C21H33N3O3/c1-16-8-6-7-9-17(16)20-18(21(26)23(4)13-12-22(2)3)10-11-19(25)24(20)14-15-27-5/h6-9,18,20H,10-15H2,1-5H3/t18-,20+/m1/s1
InChIKeyDKPAXXLJMMQOIL-QUCCMNQESA-N
MW375.51 g/mol
LogP1.94
Rot. Bonds8

About (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110087157) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID110087157
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1C
InChIInChI=1S/C21H33N3O3/c1-16-8-6-7-9-17(16)20-18(21(26)23(4)13-12-22(2)3)10-11-19(25)24(20)14-15-27-5/h6-9,18,20H,10-15H2,1-5H3/t18-,20+/m1/s1
InChIKeyDKPAXXLJMMQOIL-QUCCMNQESA-N
XLogP1.94
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 4079061
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163
US11077113, Example 12
CID 162533422
RV 538
CID 114736
US11077113, Example 7
CID 162533417
US11077113, Example 9
CID 162533419
N-butyl-N-ethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 4141254
N,N-diethyl-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4568867
1-(2-Morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one
CID 16737051
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(3-phenylpropyl)-2-piperidinone
CID 24817160
1-(2-Fluorobenzyl)-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24818968
1-[2-(4-Fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 46041491

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 110087157) is (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide is COCCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is DKPAXXLJMMQOIL-QUCCMNQESA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16-8-6-7-9-17(16)20-18(21(26)23(4)13-12-22(2)3)10-11-19(25)24(20)14-15-27-5/h6-9,18,20H,10-15H2,1-5H3/t18-,20+/m1/s1.
What are the key properties of (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).