2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide

C15H20Cl2N2O — CID 17173850

IUPAC2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-19-7-5-12(6-8-19)18-15(20)10-11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyAGRIGEPFAFMYKA-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.14
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide

2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 17173850) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID17173850
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-19-7-5-12(6-8-19)18-15(20)10-11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyAGRIGEPFAFMYKA-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (CID 17173850) is 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is AGRIGEPFAFMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-19-7-5-12(6-8-19)18-15(20)10-11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 315.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17173850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).