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

C13H25N3O3 — CID 102287323

IUPAC1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCOC1CNCCN1C[C@H](O)CN1CCCC1=O
InChIInChI=1S/C13H25N3O3/c1-2-19-13-8-14-5-7-16(13)10-11(17)9-15-6-3-4-12(15)18/h11,13-14,17H,2-10H2,1H3/t11-,13?/m1/s1
InChIKeyYCJQBZWVRVUACE-JTDNENJMSA-N
MW271.36 g/mol
LogP-0.76
Rot. Bonds6

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

1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 102287323) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID102287323
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCOC1CNCCN1C[C@H](O)CN1CCCC1=O
InChIInChI=1S/C13H25N3O3/c1-2-19-13-8-14-5-7-16(13)10-11(17)9-15-6-3-4-12(15)18/h11,13-14,17H,2-10H2,1H3/t11-,13?/m1/s1
InChIKeyYCJQBZWVRVUACE-JTDNENJMSA-N
XLogP-0.76
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-3-(2-chloropiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102287325
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-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124
1-[3-(2-cyclohexyl-4-hydroxypyrrolidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 102554559
1-[3-(3-ethylsulfanylazepan-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111117968
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(2-ethoxy-2-methoxyethyl)pyrrolidin-2-one
CID 155174816
1-[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 82705535
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 102287323) is 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is CCOC1CNCCN1C[C@H](O)CN1CCCC1=O.
What is the InChIKey of 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is YCJQBZWVRVUACE-JTDNENJMSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-2-19-13-8-14-5-7-16(13)10-11(17)9-15-6-3-4-12(15)18/h11,13-14,17H,2-10H2,1H3/t11-,13?/m1/s1.
What are the key properties of 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 271.36 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(2-ethoxypiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 102287323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).