1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone

C20H30N2O3 — CID 110898902

IUPAC1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(C2CCCN2C(=O)CN2CCCCC2CO)cc1
InChIInChI=1S/C20H30N2O3/c1-2-25-18-10-8-16(9-11-18)19-7-5-13-22(19)20(24)14-21-12-4-3-6-17(21)15-23/h8-11,17,19,23H,2-7,12-15H2,1H3
InChIKeyUAXPEQUPLNMJJJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.60
Rot. Bonds6

About 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone

1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 110898902) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID110898902
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(C2CCCN2C(=O)CN2CCCCC2CO)cc1
InChIInChI=1S/C20H30N2O3/c1-2-25-18-10-8-16(9-11-18)19-7-5-13-22(19)20(24)14-21-12-4-3-6-17(21)15-23/h8-11,17,19,23H,2-7,12-15H2,1H3
InChIKeyUAXPEQUPLNMJJJ-UHFFFAOYSA-N
XLogP2.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593
3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 51981248
3-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17417633
2-(4-ethoxyphenyl)sulfanyl-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79028920
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 110898902) is 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone is CCOc1ccc(C2CCCN2C(=O)CN2CCCCC2CO)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is UAXPEQUPLNMJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-18-10-8-16(9-11-18)19-7-5-13-22(19)20(24)14-21-12-4-3-6-17(21)15-23/h8-11,17,19,23H,2-7,12-15H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110898902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).