N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide

C13H16Cl2N2O — CID 703605

IUPACN-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyCOEBCCQVOQWFHX-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide

N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide (PubChem CID 703605) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide
PubChem CID703605
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChIKeyCOEBCCQVOQWFHX-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide (CID 703605) is N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is COEBCCQVOQWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18).
What are the key properties of N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide?
N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 287.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 703605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).