4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate

C10H18N3O3- — CID 57374023

IUPAC4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)NC(=O)CN1CCN(C(=O)[O-])CC1
InChIInChI=1S/C10H19N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h8H,3-7H2,1-2H3,(H,11,14)(H,15,16)/p-1
InChIKeyCEBKSMLHERKBRS-UHFFFAOYSA-M
MW228.27 g/mol
LogP-1.53
Rot. Bonds3

About 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate

4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate (PubChem CID 57374023) has the molecular formula C10H18N3O3- and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
PubChem CID57374023
Molecular FormulaC10H18N3O3-
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
SMILESCC(C)NC(=O)CN1CCN(C(=O)[O-])CC1
InChIInChI=1S/C10H19N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h8H,3-7H2,1-2H3,(H,11,14)(H,15,16)/p-1
InChIKeyCEBKSMLHERKBRS-UHFFFAOYSA-M
XLogP-1.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate 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

2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833858
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 60588600
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156894
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate (CID 57374023) is 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate is CC(C)NC(=O)CN1CCN(C(=O)[O-])CC1.
What is the InChIKey of 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is CEBKSMLHERKBRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N3O3/c1-8(2)11-9(14)7-12-3-5-13(6-4-12)10(15)16/h8H,3-7H2,1-2H3,(H,11,14)(H,15,16)/p-1.
What are the key properties of 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate?
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 228.27 g/mol, XLogP of -1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 57374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).