2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide

C7H12Cl3N3O — CID 82163280

IUPAC2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide
SMILESO=C(NCN1CCNCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H12Cl3N3O/c8-7(9,10)6(14)12-5-13-3-1-11-2-4-13/h11H,1-5H2,(H,12,14)
InChIKeyDOUHVVPJHSPYGG-UHFFFAOYSA-N
MW260.55 g/mol
LogP0.34
Rot. Bonds2

About 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide

2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide (PubChem CID 82163280) has the molecular formula C7H12Cl3N3O and a molecular weight of 260.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide
PubChem CID82163280
Molecular FormulaC7H12Cl3N3O
Molecular Weight260.55 g/mol
Exact Mass259.00
IUPAC Name2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide
SMILESO=C(NCN1CCNCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C7H12Cl3N3O/c8-7(9,10)6(14)12-5-13-3-1-11-2-4-13/h11H,1-5H2,(H,12,14)
InChIKeyDOUHVVPJHSPYGG-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.55
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-2-piperazin-1-ylacetamide
CID 171526171
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
N-(4-hydroxy-2,2-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 106147925
2-piperazin-1-ylacetyl iodide
CID 153235141
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
CID 140659696
CID 140659696
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
4-butyl-N-(piperazin-1-ylmethyl)cyclohexane-1-carboxamide
CID 82163276
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
ethane;2-piperazin-1-ylacetic acid
CID 143723779

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide (CID 82163280) is 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide is O=C(NCN1CCNCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide?
The InChIKey is DOUHVVPJHSPYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl3N3O/c8-7(9,10)6(14)12-5-13-3-1-11-2-4-13/h11H,1-5H2,(H,12,14).
What are the key properties of 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide?
2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide has a molecular weight of 260.55 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(piperazin-1-ylmethyl)acetamide is sourced from PubChem (CID 82163280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).