1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

C19H26N2O2 — CID 111799526

IUPAC1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O2/c22-18(15-21-10-4-7-19(21)23)14-20-11-8-17(9-12-20)13-16-5-2-1-3-6-16/h1-3,5-6,13,18,22H,4,7-12,14-15H2
InChIKeyRPFPIMVFGMETGV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.15
Rot. Bonds5

About 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111799526) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111799526
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O2/c22-18(15-21-10-4-7-19(21)23)14-20-11-8-17(9-12-20)13-16-5-2-1-3-6-16/h1-3,5-6,13,18,22H,4,7-12,14-15H2
InChIKeyRPFPIMVFGMETGV-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111799527
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
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-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 111799526) is 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is RPFPIMVFGMETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(15-21-10-4-7-19(21)23)14-20-11-8-17(9-12-20)13-16-5-2-1-3-6-16/h1-3,5-6,13,18,22H,4,7-12,14-15H2.
What are the key properties of 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111799526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).