2,2-dichloro-N-piperidin-1-ylacetamide

C7H12Cl2N2O — CID 17164475

IUPAC2,2-dichloro-N-piperidin-1-ylacetamide
SMILESO=C(NN1CCCCC1)C(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c8-6(9)7(12)10-11-4-2-1-3-5-11/h6H,1-5H2,(H,10,12)
InChIKeyDPLCXQMLVOSUGV-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.31
Rot. Bonds2

About 2,2-dichloro-N-piperidin-1-ylacetamide

2,2-dichloro-N-piperidin-1-ylacetamide (PubChem CID 17164475) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 2,2-dichloro-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-piperidin-1-ylacetamide
PubChem CID17164475
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name2,2-dichloro-N-piperidin-1-ylacetamide
SMILESO=C(NN1CCCCC1)C(Cl)Cl
InChIInChI=1S/C7H12Cl2N2O/c8-6(9)7(12)10-11-4-2-1-3-5-11/h6H,1-5H2,(H,10,12)
InChIKeyDPLCXQMLVOSUGV-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-piperidin-1-ylacetamide?
The IUPAC name of 2,2-dichloro-N-piperidin-1-ylacetamide (CID 17164475) is 2,2-dichloro-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2,2-dichloro-N-piperidin-1-ylacetamide?
The canonical SMILES for 2,2-dichloro-N-piperidin-1-ylacetamide is O=C(NN1CCCCC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-piperidin-1-ylacetamide?
The InChIKey is DPLCXQMLVOSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2O/c8-6(9)7(12)10-11-4-2-1-3-5-11/h6H,1-5H2,(H,10,12).
What are the key properties of 2,2-dichloro-N-piperidin-1-ylacetamide?
2,2-dichloro-N-piperidin-1-ylacetamide has a molecular weight of 211.09 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-piperidin-1-ylacetamide is sourced from PubChem (CID 17164475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).