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

C14H18Cl2N2O2 — CID 71918091

IUPAC2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-2-1-10(7-13(12)16)9-20-11-3-5-18(6-4-11)8-14(17)19/h1-2,7,11H,3-6,8-9H2,(H2,17,19)
InChIKeyCPXPUMNKAUWENH-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.46
Rot. Bonds5

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

2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide (PubChem CID 71918091) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide
PubChem CID71918091
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-2-1-10(7-13(12)16)9-20-11-3-5-18(6-4-11)8-14(17)19/h1-2,7,11H,3-6,8-9H2,(H2,17,19)
InChIKeyCPXPUMNKAUWENH-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.46
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]acetamide?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide (CID 71918091) is 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide is NC(=O)CN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide?
The InChIKey is CPXPUMNKAUWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-2-1-10(7-13(12)16)9-20-11-3-5-18(6-4-11)8-14(17)19/h1-2,7,11H,3-6,8-9H2,(H2,17,19).
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide?
2-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]acetamide has a molecular weight of 317.22 g/mol, XLogP of 2.46, 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]acetamide is sourced from PubChem (CID 71918091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).