N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide

C9H17N3O3 — CID 107435117

IUPACN-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
SMILESCCN(CCO)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H17N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h7,10,13H,2-6H2,1H3,(H,11,14)
InChIKeyWWDIXSRUMFGYMY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-2.08
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107435117) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
PubChem CID107435117
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
SMILESCCN(CCO)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H17N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h7,10,13H,2-6H2,1H3,(H,11,14)
InChIKeyWWDIXSRUMFGYMY-UHFFFAOYSA-N
XLogP-2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745891
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CID 2055735
2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
3-(Hydroxymethyl)-6-methylpiperazine-2,5-dione
CID 53400860
3-(Hydroxymethyl)-1-methylpiperazin-2-one hydrochloride
CID 137964567
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3,5,5-tetramethylpiperazin-2-one
CID 12580998
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylacetamide
CID 45798762
3-(Hydroxymethyl)-1-methylpiperazin-2-one
CID 84048265
4-(1-Hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
CID 12581006
3-Amino-1-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propanone hydrochloride
CID 53409664
5-[(Tert-butylamino)methyl]-1-(1-hydroxy-2-methylpropan-2-yl)-3,3,5-trimethylpiperazin-2-one
CID 134907672

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide (CID 107435117) is N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide is CCN(CCO)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is WWDIXSRUMFGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-12(3-4-13)9(15)7-5-11-8(14)6-10-7/h7,10,13H,2-6H2,1H3,(H,11,14).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).