2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide

C23H27N3O3 — CID 86828694

IUPAC2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-22(24-18-11-14-25(15-12-18)19-6-2-1-3-7-19)17-29-21-9-4-8-20(16-21)26-13-5-10-23(26)28/h1-4,6-9,16,18H,5,10-15,17H2,(H,24,27)
InChIKeyLEVOLPOEOLKTJR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide

2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide (PubChem CID 86828694) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
PubChem CID86828694
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-22(24-18-11-14-25(15-12-18)19-6-2-1-3-7-19)17-29-21-9-4-8-20(16-21)26-13-5-10-23(26)28/h1-4,6-9,16,18H,5,10-15,17H2,(H,24,27)
InChIKeyLEVOLPOEOLKTJR-UHFFFAOYSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119602651
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78889287
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 29412100
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide (CID 86828694) is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide is O=C(COc1cccc(N2CCCC2=O)c1)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide?
The InChIKey is LEVOLPOEOLKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(24-18-11-14-25(15-12-18)19-6-2-1-3-7-19)17-29-21-9-4-8-20(16-21)26-13-5-10-23(26)28/h1-4,6-9,16,18H,5,10-15,17H2,(H,24,27).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide?
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86828694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).