2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide

C14H30N4O — CID 63340262

IUPAC2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCN(C(CC)CN)CC1
InChIInChI=1S/C14H30N4O/c1-3-5-6-16-14(19)12-17-7-9-18(10-8-17)13(4-2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyMVSZPIQVVZQAGF-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds8

About 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide (PubChem CID 63340262) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
PubChem CID63340262
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCN(C(CC)CN)CC1
InChIInChI=1S/C14H30N4O/c1-3-5-6-16-14(19)12-17-7-9-18(10-8-17)13(4-2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyMVSZPIQVVZQAGF-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63340092
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
N-butyl-2-[4-(1-cyanopropan-2-yl)piperazin-1-yl]acetamide
CID 47049319
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
CID 43252897
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide?
The IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide (CID 63340262) is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide is CCCCNC(=O)CN1CCN(C(CC)CN)CC1.
What is the InChIKey of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide?
The InChIKey is MVSZPIQVVZQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-3-5-6-16-14(19)12-17-7-9-18(10-8-17)13(4-2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide?
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide is sourced from PubChem (CID 63340262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).