1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one

C18H26N2O3 — CID 111116460

IUPAC1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c21-15(14-20-10-4-7-18(20)22)13-19-11-8-17(9-12-19)23-16-5-2-1-3-6-16/h1-3,5-6,15,17,21H,4,7-14H2
InChIKeyGGPUCWQAFNMSDA-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one

1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 111116460) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID111116460
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c21-15(14-20-10-4-7-18(20)22)13-19-11-8-17(9-12-19)23-16-5-2-1-3-6-16/h1-3,5-6,15,17,21H,4,7-14H2
InChIKeyGGPUCWQAFNMSDA-UHFFFAOYSA-N
XLogP1.51
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 95325339
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111799526
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 42625491
1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584725
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[3-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116480

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one (CID 111116460) is 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is GGPUCWQAFNMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-15(14-20-10-4-7-18(20)22)13-19-11-8-17(9-12-19)23-16-5-2-1-3-6-16/h1-3,5-6,15,17,21H,4,7-14H2.
What are the key properties of 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 111116460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).