1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

C17H24ClN3O2 — CID 42625491

IUPAC1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2/t14-/m1/s1
InChIKeyDMQCGBZLCNEABF-CQSZACIVSA-N
MW337.85 g/mol
LogP1.45
Rot. Bonds5

About 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one

1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 42625491) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID42625491
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2/t14-/m1/s1
InChIKeyDMQCGBZLCNEABF-CQSZACIVSA-N
XLogP1.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584725
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-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
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
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116454
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one (CID 42625491) is 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1C[C@H](O)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is DMQCGBZLCNEABF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-4-1-2-5-16(15)20-10-8-19(9-11-20)12-14(22)13-21-7-3-6-17(21)23/h1-2,4-5,14,22H,3,6-13H2/t14-/m1/s1.
What are the key properties of 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one?
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 337.85 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 42625491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).