N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide

C11H21N3O4 — CID 107435769

IUPACN-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
SMILESCOCCOCCCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H21N3O4/c1-17-5-6-18-4-2-3-12-11(16)9-7-14-10(15)8-13-9/h9,13H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyCCJIJZNSVXODQK-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.76
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide

N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435769) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435769
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide
SMILESCOCCOCCCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H21N3O4/c1-17-5-6-18-4-2-3-12-11(16)9-7-14-10(15)8-13-9/h9,13H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyCCJIJZNSVXODQK-UHFFFAOYSA-N
XLogP-1.76
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide
CID 106398179
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-oxopiperazine-2-carboxamide
CID 107435457
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopiperazine-2-carboxamide
CID 107437787

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide (CID 107435769) is N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide is COCCOCCCNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is CCJIJZNSVXODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-17-5-6-18-4-2-3-12-11(16)9-7-14-10(15)8-13-9/h9,13H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).