1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

C11H20ClN3O2 — CID 102287325

IUPAC1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCNCC1Cl
InChIInChI=1S/C11H20ClN3O2/c12-10-6-13-3-5-14(10)7-9(16)8-15-4-1-2-11(15)17/h9-10,13,16H,1-8H2/t9-,10?/m1/s1
InChIKeyOZBONSCPVPHNCK-YHMJZVADSA-N
MW261.75 g/mol
LogP-0.56
Rot. Bonds4

About 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 102287325) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID102287325
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](O)CN1CCNCC1Cl
InChIInChI=1S/C11H20ClN3O2/c12-10-6-13-3-5-14(10)7-9(16)8-15-4-1-2-11(15)17/h9-10,13,16H,1-8H2/t9-,10?/m1/s1
InChIKeyOZBONSCPVPHNCK-YHMJZVADSA-N
XLogP-0.56
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102287323
1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102554559
1-[3-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116454
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 102287325) is 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1C[C@H](O)CN1CCNCC1Cl.
What is the InChIKey of 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is OZBONSCPVPHNCK-YHMJZVADSA-N. The full InChI is InChI=1S/C11H20ClN3O2/c12-10-6-13-3-5-14(10)7-9(16)8-15-4-1-2-11(15)17/h9-10,13,16H,1-8H2/t9-,10?/m1/s1.
What are the key properties of 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 261.75 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 102287325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).