1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

C18H25N3O3 — CID 119561650

IUPAC1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-19-14-7-10-20(11-8-14)18(23)13-24-16-5-2-4-15(12-16)21-9-3-6-17(21)22/h2,4-5,12,14,19H,3,6-11,13H2,1H3
InChIKeyUGBRPZVARLMMFH-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.40
Rot. Bonds5

About 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 119561650) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID119561650
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-19-14-7-10-20(11-8-14)18(23)13-24-16-5-2-4-15(12-16)21-9-3-6-17(21)22/h2,4-5,12,14,19H,3,6-11,13H2,1H3
InChIKeyUGBRPZVARLMMFH-UHFFFAOYSA-N
XLogP1.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.40
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
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 42897478
N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119602651
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
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 119561650) is 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is CNC1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1.
What is the InChIKey of 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is UGBRPZVARLMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-19-14-7-10-20(11-8-14)18(23)13-24-16-5-2-4-15(12-16)21-9-3-6-17(21)22/h2,4-5,12,14,19H,3,6-11,13H2,1H3.
What are the key properties of 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 119561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).