1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C26H33N3O4 — CID 55945187

IUPAC1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC1=O
InChIInChI=1S/C26H33N3O4/c1-3-33-24-10-5-4-9-23(24)29-18-20(16-25(29)30)26(31)27-21-11-13-28(14-12-21)17-19-7-6-8-22(15-19)32-2/h4-10,15,20-21H,3,11-14,16-18H2,1-2H3,(H,27,31)
InChIKeyOXWFISWRFZJEJQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.23
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55945187) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55945187
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC1=O
InChIInChI=1S/C26H33N3O4/c1-3-33-24-10-5-4-9-23(24)29-18-20(16-25(29)30)26(31)27-21-11-13-28(14-12-21)17-19-7-6-8-22(15-19)32-2/h4-10,15,20-21H,3,11-14,16-18H2,1-2H3,(H,27,31)
InChIKeyOXWFISWRFZJEJQ-UHFFFAOYSA-N
XLogP3.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75448758
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903661
1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
CID 154794249
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55708388
1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55866339
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 24625418
1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55350881
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188284

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 55945187) is 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OXWFISWRFZJEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-3-33-24-10-5-4-9-23(24)29-18-20(16-25(29)30)26(31)27-21-11-13-28(14-12-21)17-19-7-6-8-22(15-19)32-2/h4-10,15,20-21H,3,11-14,16-18H2,1-2H3,(H,27,31).
What are the key properties of 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55945187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).