2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide

C13H23N3O4 — CID 108507583

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H23N3O4/c17-8-7-15-3-5-16(6-4-15)13(19)12(18)14-10-11-2-1-9-20-11/h11,17H,1-10H2,(H,14,18)
InChIKeyLQWBMLGWMRDMFQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.58
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 108507583) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
PubChem CID108507583
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCO1)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H23N3O4/c17-8-7-15-3-5-16(6-4-15)13(19)12(18)14-10-11-2-1-9-20-11/h11,17H,1-10H2,(H,14,18)
InChIKeyLQWBMLGWMRDMFQ-UHFFFAOYSA-N
XLogP-1.58
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
N-(3-morpholin-4-ylpropyl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 51362759
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide (CID 108507583) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide is O=C(NCC1CCCO1)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LQWBMLGWMRDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-8-7-15-3-5-16(6-4-15)13(19)12(18)14-10-11-2-1-9-20-11/h11,17H,1-10H2,(H,14,18).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 108507583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).