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

C18H27N3O2 — CID 23584597

IUPAC1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O2/c1-15-5-2-3-6-17(15)20-11-9-19(10-12-20)13-16(22)14-21-8-4-7-18(21)23/h2-3,5-6,16,22H,4,7-14H2,1H3
InChIKeyUGJSCOZUDXIFFI-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.10
Rot. Bonds5

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

1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 23584597) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID23584597
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O2/c1-15-5-2-3-6-17(15)20-11-9-19(10-12-20)13-16(22)14-21-8-4-7-18(21)23/h2-3,5-6,16,22H,4,7-14H2,1H3
InChIKeyUGJSCOZUDXIFFI-UHFFFAOYSA-N
XLogP1.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
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-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[(2R)-2-hydroxy-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propyl]pyrrolidin-2-one
CID 97065331
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111799526
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
4-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54435998
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 23584597) is 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is Cc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is UGJSCOZUDXIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-5-2-3-6-17(15)20-11-9-19(10-12-20)13-16(22)14-21-8-4-7-18(21)23/h2-3,5-6,16,22H,4,7-14H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.10, 5 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-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 23584597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).