2-(4-acetylpiperazin-1-yl)-N-butylacetamide

C12H23N3O2 — CID 108993129

IUPAC2-(4-acetylpiperazin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-5-13-12(17)10-14-6-8-15(9-7-14)11(2)16/h3-10H2,1-2H3,(H,13,17)
InChIKeyMJXTWVMFDZIWOQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-butylacetamide

2-(4-acetylpiperazin-1-yl)-N-butylacetamide (PubChem CID 108993129) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-butylacetamide
PubChem CID108993129
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-5-13-12(17)10-14-6-8-15(9-7-14)11(2)16/h3-10H2,1-2H3,(H,13,17)
InChIKeyMJXTWVMFDZIWOQ-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
N-ethyl-4-[2-oxo-2-(pentylamino)ethyl]piperazine-1-carboxamide
CID 78827366
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
2-[7-[2-[[6-(butylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-(carboxymethyl)-10-ethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639687
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-butylacetamide (CID 108993129) is 2-(4-acetylpiperazin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-butylacetamide is CCCCNC(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-butylacetamide?
The InChIKey is MJXTWVMFDZIWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-5-13-12(17)10-14-6-8-15(9-7-14)11(2)16/h3-10H2,1-2H3,(H,13,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-butylacetamide?
2-(4-acetylpiperazin-1-yl)-N-butylacetamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-butylacetamide is sourced from PubChem (CID 108993129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).