2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C18H27N3O3 — CID 125022977

IUPAC2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C18H27N3O3/c1-2-23-14-18(22)21-8-4-7-17(21)16-6-3-5-15(19-16)13-20-9-11-24-12-10-20/h3,5-6,17H,2,4,7-14H2,1H3/t17-/m0/s1
InChIKeyYUNJBLCEANQNCL-KRWDZBQOSA-N
MW333.43 g/mol
LogP1.61
Rot. Bonds6

About 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 125022977) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID125022977
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C18H27N3O3/c1-2-23-14-18(22)21-8-4-7-17(21)16-6-3-5-15(19-16)13-20-9-11-24-12-10-20/h3,5-6,17H,2,4,7-14H2,1H3/t17-/m0/s1
InChIKeyYUNJBLCEANQNCL-KRWDZBQOSA-N
XLogP1.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124978104
2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124982918
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110107646
(1-methylpyrazol-3-yl)-[(2S)-2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124956644
[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 110107647
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
6-[[(2R)-16-[(6-carboxy-2-pyridinyl)methyl]-2-(ethoxymethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 155283774
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 125022977) is 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CCOCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1.
What is the InChIKey of 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YUNJBLCEANQNCL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-23-14-18(22)21-8-4-7-17(21)16-6-3-5-15(19-16)13-20-9-11-24-12-10-20/h3,5-6,17H,2,4,7-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125022977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).