2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide

C15H20Cl2N2O2 — CID 71969469

IUPAC2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-15(20)9-19-6-4-12(5-7-19)21-10-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyGVLQMJCDEPWFGG-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.72
Rot. Bonds5

About 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide

2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide (PubChem CID 71969469) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide
PubChem CID71969469
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-15(20)9-19-6-4-12(5-7-19)21-10-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyGVLQMJCDEPWFGG-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide (CID 71969469) is 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide?
The InChIKey is GVLQMJCDEPWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-18-15(20)9-19-6-4-12(5-7-19)21-10-11-2-3-13(16)14(17)8-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide?
2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide has a molecular weight of 331.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 71969469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).