N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide

C15H20Cl2N2O — CID 46179012

IUPACN-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide
SMILESCCN(C(=O)CC1CCNCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-19(13-5-3-4-12(16)15(13)17)14(20)10-11-6-8-18-9-7-11/h3-5,11,18H,2,6-10H2,1H3
InChIKeyKTZFKNQRMOFVDR-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.74
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide

N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide (PubChem CID 46179012) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide
PubChem CID46179012
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide
SMILESCCN(C(=O)CC1CCNCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-19(13-5-3-4-12(16)15(13)17)14(20)10-11-6-8-18-9-7-11/h3-5,11,18H,2,6-10H2,1H3
InChIKeyKTZFKNQRMOFVDR-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide (CID 46179012) is N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide is CCN(C(=O)CC1CCNCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide?
The InChIKey is KTZFKNQRMOFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-19(13-5-3-4-12(16)15(13)17)14(20)10-11-6-8-18-9-7-11/h3-5,11,18H,2,6-10H2,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide?
N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide has a molecular weight of 315.24 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide is sourced from PubChem (CID 46179012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).