N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide

C18H30N4O — CID 120703889

IUPACN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-19-15-18(23)20-9-5-6-10-21-11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-4,7-8,19H,5-6,9-16H2,1H3,(H,20,23)
InChIKeyFAMOKZYGWBGTOI-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.92
Rot. Bonds9

About N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide (PubChem CID 120703889) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
PubChem CID120703889
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N4O/c1-19-15-18(23)20-9-5-6-10-21-11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-4,7-8,19H,5-6,9-16H2,1H3,(H,20,23)
InChIKeyFAMOKZYGWBGTOI-UHFFFAOYSA-N
XLogP0.92
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.92
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

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
1-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415768
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(tetrazol-1-yl)acetamide
CID 60559251
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
4-benzyl-N'-methyl-N-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 110959674
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
CID 120597571
1-benzyl-3-[4-(4-benzylpiperazin-1-yl)butyl]-2-methylguanidine
CID 110954076

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide (CID 120703889) is N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide is CNCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide?
The InChIKey is FAMOKZYGWBGTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-19-15-18(23)20-9-5-6-10-21-11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-4,7-8,19H,5-6,9-16H2,1H3,(H,20,23).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide?
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide has a molecular weight of 318.47 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120703889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).