1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone

C17H24N2O4 — CID 155983602

IUPAC1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(O)(CN2CCOCC2)C1
InChIInChI=1S/C17H24N2O4/c20-16(12-23-15-4-2-1-3-5-15)19-7-6-17(21,14-19)13-18-8-10-22-11-9-18/h1-5,21H,6-14H2
InChIKeyDTVPUCDMTBFBMJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.36
Rot. Bonds5

About 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 155983602) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID155983602
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(O)(CN2CCOCC2)C1
InChIInChI=1S/C17H24N2O4/c20-16(12-23-15-4-2-1-3-5-15)19-7-6-17(21,14-19)13-18-8-10-22-11-9-18/h1-5,21H,6-14H2
InChIKeyDTVPUCDMTBFBMJ-UHFFFAOYSA-N
XLogP0.36
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125021964
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125025689
[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 124990656
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125003959
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-[[(3S)-3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 129460105
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125011164
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone (CID 155983602) is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(O)(CN2CCOCC2)C1.
What is the InChIKey of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is DTVPUCDMTBFBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-16(12-23-15-4-2-1-3-5-15)19-7-6-17(21,14-19)13-18-8-10-22-11-9-18/h1-5,21H,6-14H2.
What are the key properties of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 320.39 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 155983602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).