2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide

C14H30N4O — CID 43252753

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

About 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide

2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 43252753) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID43252753
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(CCCCN)CC1
InChIInChI=1S/C14H30N4O/c1-3-13(2)16-14(19)12-18-10-8-17(9-11-18)7-5-4-6-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyFGZIYUVFBZNTLG-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-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
N-butan-2-yl-2-[4-(3-phenoxypropyl)piperazin-1-yl]acetamide
CID 134045424
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-butan-2-yl-2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 111487266
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488192
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide (CID 43252753) is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(CCCCN)CC1.
What is the InChIKey of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is FGZIYUVFBZNTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-3-13(2)16-14(19)12-18-10-8-17(9-11-18)7-5-4-6-15/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide 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-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 43252753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).