N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide

C12H23N3O2 — CID 63601251

IUPACN-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
SMILESCCCCNC(=O)CN1CCNC(C)(C)C1=O
InChIInChI=1S/C12H23N3O2/c1-4-5-6-13-10(16)9-15-8-7-14-12(2,3)11(15)17/h14H,4-9H2,1-3H3,(H,13,16)
InChIKeyNYKQSFVNNPFUSP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide

N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide (PubChem CID 63601251) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
PubChem CID63601251
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
SMILESCCCCNC(=O)CN1CCNC(C)(C)C1=O
InChIInChI=1S/C12H23N3O2/c1-4-5-6-13-10(16)9-15-8-7-14-12(2,3)11(15)17/h14H,4-9H2,1-3H3,(H,13,16)
InChIKeyNYKQSFVNNPFUSP-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63602299
N-butyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241424
N-(2-cyanoethyl)-2-(3,3-dimethyl-2,6-dioxopiperazin-1-yl)acetamide
CID 66069237
2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 63601586
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
N-(3-methoxypropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 62310212
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15994323
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide (CID 63601251) is N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide is CCCCNC(=O)CN1CCNC(C)(C)C1=O.
What is the InChIKey of N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
The InChIKey is NYKQSFVNNPFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-5-6-13-10(16)9-15-8-7-14-12(2,3)11(15)17/h14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide?
N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63601251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).