N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide

C12H23N3O3 — CID 103805857

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-3-8-18-10-12(17)14(2)9-11(16)15-6-4-13-5-7-15/h13H,3-10H2,1-2H3
InChIKeyGBFJKCUWYCTYSV-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.70
Rot. Bonds6

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide (PubChem CID 103805857) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
PubChem CID103805857
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-3-8-18-10-12(17)14(2)9-11(16)15-6-4-13-5-7-15/h13H,3-10H2,1-2H3
InChIKeyGBFJKCUWYCTYSV-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
1-(1,4-diazepan-1-yl)-2-propoxyethanone;hydrochloride
CID 119415667
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
2-amino-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 82511586

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide (CID 103805857) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide is CCCOCC(=O)N(C)CC(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide?
The InChIKey is GBFJKCUWYCTYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-8-18-10-12(17)14(2)9-11(16)15-6-4-13-5-7-15/h13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide has a molecular weight of 257.33 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide is sourced from PubChem (CID 103805857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).