1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one

C18H22Cl2N2O2 — CID 15123248

IUPAC1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one
SMILESO=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1
InChIInChI=1S/C18H22Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-12H2
InChIKeyFACSGCXGQDFEDR-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one

1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one (PubChem CID 15123248) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one
PubChem CID15123248
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one
SMILESO=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1
InChIInChI=1S/C18H22Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-12H2
InChIKeyFACSGCXGQDFEDR-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one (CID 15123248) is 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one is O=C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one?
The InChIKey is FACSGCXGQDFEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-16-4-3-13(9-17(16)20)10-18(24)22-8-5-15(23)11-14(22)12-21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-12H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one?
1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one has a molecular weight of 369.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidin-4-one is sourced from PubChem (CID 15123248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).