4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C16H21ClFN3O2 — CID 3242928

IUPAC4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-5-11(6-8-21)15(22)19-10-12-3-4-13(18)9-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyVYBDRUZULXWALS-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.49
Rot. Bonds3

About 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3242928) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3242928
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-5-11(6-8-21)15(22)19-10-12-3-4-13(18)9-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyVYBDRUZULXWALS-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide 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 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3242928) is 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is VYBDRUZULXWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-5-11(6-8-21)15(22)19-10-12-3-4-13(18)9-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 341.81 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3242928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).