2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C15H32N4O — CID 43253086

IUPAC2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(CCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-14(2)12-17-15(20)13-19-10-8-18(9-11-19)7-5-3-4-6-16/h14H,3-13,16H2,1-2H3,(H,17,20)
InChIKeyOESFJKROWPJXJN-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.51
Rot. Bonds9

About 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 43253086) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID43253086
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(CCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-14(2)12-17-15(20)13-19-10-8-18(9-11-19)7-5-3-4-6-16/h14H,3-13,16H2,1-2H3,(H,17,20)
InChIKeyOESFJKROWPJXJN-UHFFFAOYSA-N
XLogP0.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.51
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-(2-methylpropyl)acetamide
CID 43251325
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 43251542
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
N-(3-aminopropyl)-2-[4,7,10-tris[2-(3-aminopropylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101418883
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
CID 43253136
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 43253086) is 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(CCCCCN)CC1.
What is the InChIKey of 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is OESFJKROWPJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-14(2)12-17-15(20)13-19-10-8-18(9-11-19)7-5-3-4-6-16/h14H,3-13,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 284.45 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43253086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).