2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide

C13H28N4O — CID 43309505

IUPAC2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCN(CCCCN)CC1
InChIInChI=1S/C13H28N4O/c1-3-15(2)13(18)12-17-10-8-16(9-11-17)7-5-4-6-14/h3-12,14H2,1-2H3
InChIKeyBPYBLOCNAMOBKZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.18
Rot. Bonds7

About 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide

2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 43309505) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID43309505
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCN(CCCCN)CC1
InChIInChI=1S/C13H28N4O/c1-3-15(2)13(18)12-17-10-8-16(9-11-17)7-5-4-6-14/h3-12,14H2,1-2H3
InChIKeyBPYBLOCNAMOBKZ-UHFFFAOYSA-N
XLogP-0.18
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 107214181
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
N-ethyl-N-methyl-2-(4-oxopiperidin-1-yl)acetamide
CID 43309728
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 43290460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide (CID 43309505) is 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCN(CCCCN)CC1.
What is the InChIKey of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is BPYBLOCNAMOBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-3-15(2)13(18)12-17-10-8-16(9-11-17)7-5-4-6-14/h3-12,14H2,1-2H3.
What are the key properties of 2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide?
2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 256.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 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-ethyl-N-methylacetamide is sourced from PubChem (CID 43309505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).