3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C18H27N3O3 — CID 124978104

IUPAC3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C18H27N3O3/c1-23-11-7-18(22)21-8-3-6-17(21)16-5-2-4-15(19-16)14-20-9-12-24-13-10-20/h2,4-5,17H,3,6-14H2,1H3/t17-/m0/s1
InChIKeyLRIIQAHLMGELQD-KRWDZBQOSA-N
MW333.43 g/mol
LogP1.61
Rot. Bonds6

About 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 124978104) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID124978104
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C18H27N3O3/c1-23-11-7-18(22)21-8-3-6-17(21)16-5-2-4-15(19-16)14-20-9-12-24-13-10-20/h2,4-5,17H,3,6-14H2,1H3/t17-/m0/s1
InChIKeyLRIIQAHLMGELQD-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

2-ethoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125022977
2-cyclopentyl-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124982918
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
(1-methylpyrrol-2-yl)-[2-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110107646
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
(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
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019005
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192
methyl 6-[[(1S,18R)-14-[(6-methoxycarbonyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.0]henicosan-5-yl]methyl]pyridine-2-carboxylate
CID 155283747
2-methoxy-1-[2-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110101896

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 124978104) is 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCC[C@H]1c1cccc(CN2CCOCC2)n1.
What is the InChIKey of 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is LRIIQAHLMGELQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-11-7-18(22)21-8-3-6-17(21)16-5-2-4-15(19-16)14-20-9-12-24-13-10-20/h2,4-5,17H,3,6-14H2,1H3/t17-/m0/s1.
What are the key properties of 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one 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 3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124978104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).