1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one

C19H28N2O2 — CID 91832320

IUPAC1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2cccc(CN3CCCC3)c2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-23-10-9-21-15-18(13-19(21)22)12-16-5-4-6-17(11-16)14-20-7-2-3-8-20/h4-6,11,18H,2-3,7-10,12-15H2,1H3
InChIKeyQKDNYPYATBSZGF-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.32
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 91832320) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID91832320
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCN1CC(Cc2cccc(CN3CCCC3)c2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-23-10-9-21-15-18(13-19(21)22)12-16-5-4-6-17(11-16)14-20-7-2-3-8-20/h4-6,11,18H,2-3,7-10,12-15H2,1H3
InChIKeyQKDNYPYATBSZGF-UHFFFAOYSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
4-[[4-(cyclobutanecarbonyl)phenyl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91829961
1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
6-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2H-isoquinolin-1-one
CID 91831672
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125168454
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124752474
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one (CID 91832320) is 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one is COCCN1CC(Cc2cccc(CN3CCCC3)c2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is QKDNYPYATBSZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-10-9-21-15-18(13-19(21)22)12-16-5-4-6-17(11-16)14-20-7-2-3-8-20/h4-6,11,18H,2-3,7-10,12-15H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91832320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).