N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide

C12H24N4O2 — CID 64980464

IUPACN-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C12H24N4O2/c1-9-7-16(10(2)6-15-9)8-12(18)14-5-4-13-11(3)17/h9-10,15H,4-8H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyUEWZHIXRKLQKDJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.08
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide

N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 64980464) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
PubChem CID64980464
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C12H24N4O2/c1-9-7-16(10(2)6-15-9)8-12(18)14-5-4-13-11(3)17/h9-10,15H,4-8H2,1-3H3,(H,13,17)(H,14,18)
InChIKeyUEWZHIXRKLQKDJ-UHFFFAOYSA-N
XLogP-1.08
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide (CID 64980464) is N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide is CC(=O)NCCNC(=O)CN1CC(C)NCC1C.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is UEWZHIXRKLQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9-7-16(10(2)6-15-9)8-12(18)14-5-4-13-11(3)17/h9-10,15H,4-8H2,1-3H3,(H,13,17)(H,14,18).
What are the key properties of N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide?
N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 64980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).