N-[4-(4-methylpiperazin-1-yl)butyl]acetamide

C11H23N3O — CID 110459248

IUPACN-[4-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCCN1CCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)12-5-3-4-6-14-9-7-13(2)8-10-14/h3-10H2,1-2H3,(H,12,15)
InChIKeyVEYZZXCRASOYTQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)butyl]acetamide

N-[4-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 110459248) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID110459248
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(=O)NCCCCN1CCN(C)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)12-5-3-4-6-14-9-7-13(2)8-10-14/h3-10H2,1-2H3,(H,12,15)
InChIKeyVEYZZXCRASOYTQ-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
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-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxobutanamide
CID 61251319
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide
CID 176554301
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 62854713
4-(4-methylpiperazin-1-yl)butylhydrazine
CID 118629290
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
2-bromo-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 61251741

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butyl]acetamide (CID 110459248) is N-[4-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butyl]acetamide is CC(=O)NCCCCN1CCN(C)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is VEYZZXCRASOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(15)12-5-3-4-6-14-9-7-13(2)8-10-14/h3-10H2,1-2H3,(H,12,15).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butyl]acetamide?
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 213.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 110459248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).