1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

C20H25N3O4 — CID 24790784

IUPAC1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCc3cc(C)on3)CCC2=O)cc1
InChIInChI=1S/C20H25N3O4/c1-14-11-17(22-27-14)12-21-20(25)16-5-8-19(24)23(13-16)10-9-15-3-6-18(26-2)7-4-15/h3-4,6-7,11,16H,5,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyAAOXGYSTYRJXDT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.09
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790784) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790784
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCc3cc(C)on3)CCC2=O)cc1
InChIInChI=1S/C20H25N3O4/c1-14-11-17(22-27-14)12-21-20(25)16-5-8-19(24)23(13-16)10-9-15-3-6-18(26-2)7-4-15/h3-4,6-7,11,16H,5,8-10,12-13H2,1-2H3,(H,21,25)
InChIKeyAAOXGYSTYRJXDT-UHFFFAOYSA-N
XLogP2.09
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 16285974
5-(4-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 3240709
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3242135
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585
1-({5-[(1E)-2-(Dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-YL}sulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 20876093
N-[[(3R)-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 153635907
US11306078, Example 1.057
CID 141678075
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1251518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790784) is 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCc3cc(C)on3)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is AAOXGYSTYRJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-11-17(22-27-14)12-21-20(25)16-5-8-19(24)23(13-16)10-9-15-3-6-18(26-2)7-4-15/h3-4,6-7,11,16H,5,8-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).