N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide

C15H31N3O4 — CID 164557571

IUPACN-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCN1CCN(C)CC1
InChIInChI=1S/C15H31N3O4/c1-15(19)16-3-9-20-11-13-22-14-12-21-10-8-18-6-4-17(2)5-7-18/h3-14H2,1-2H3,(H,16,19)
InChIKeyIAYIJJBLUWGHGW-UHFFFAOYSA-N
MW317.43 g/mol
LogP-0.58
Rot. Bonds12

About N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide

N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 164557571) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
PubChem CID164557571
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC NameN-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCOCCN1CCN(C)CC1
InChIInChI=1S/C15H31N3O4/c1-15(19)16-3-9-20-11-13-22-14-12-21-10-8-18-6-4-17(2)5-7-18/h3-14H2,1-2H3,(H,16,19)
InChIKeyIAYIJJBLUWGHGW-UHFFFAOYSA-N
XLogP-0.58
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
tert-butyl N-[2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]ethyl]carbamate
CID 169093880
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
N-[2-(2-aminoethoxy)ethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 175195064
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 164557571) is N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCOCCN1CCN(C)CC1.
What is the InChIKey of N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is IAYIJJBLUWGHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4/c1-15(19)16-3-9-20-11-13-22-14-12-21-10-8-18-6-4-17(2)5-7-18/h3-14H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide?
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of -0.58, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 164557571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).