N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide

C12H23N3O3 — CID 107201769

IUPACN-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
SMILESCN(CCCCCO)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-14(7-3-2-4-10-16)11(17)12(18)15-8-5-13-6-9-15/h13,16H,2-10H2,1H3
InChIKeyNLTCPLFXECYHJK-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.96
Rot. Bonds5

About N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide

N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 107201769) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
PubChem CID107201769
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
SMILESCN(CCCCCO)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-14(7-3-2-4-10-16)11(17)12(18)15-8-5-13-6-9-15/h13,16H,2-10H2,1H3
InChIKeyNLTCPLFXECYHJK-UHFFFAOYSA-N
XLogP-0.96
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
CID 82509684
N-methyl-2-oxo-2-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63209113
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-2-oxoacetamide
CID 112663025
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-oxo-2-piperazin-1-ylacetamide
CID 113467944
4-ethyl-N-(5-hydroxypentyl)-N-methylpiperidine-4-carboxamide
CID 107199194
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 60890278
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 55249454
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
N-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
CID 162263600

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide (CID 107201769) is N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide is CN(CCCCCO)C(=O)C(=O)N1CCNCC1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is NLTCPLFXECYHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(7-3-2-4-10-16)11(17)12(18)15-8-5-13-6-9-15/h13,16H,2-10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide?
N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 257.33 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 107201769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).