3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C16H21ClFN3O2 — CID 3242826

IUPAC3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-3-4-12(10-21)15(22)19-9-11-5-6-13(18)8-14(11)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,22)
InChIKeyNGOOQJWHTUDSGT-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.49
Rot. Bonds3

About 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 3242826) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID3242826
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-3-4-12(10-21)15(22)19-9-11-5-6-13(18)8-14(11)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,22)
InChIKeyNGOOQJWHTUDSGT-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 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-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 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 3242826) is 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is NGOOQJWHTUDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-20(2)16(23)21-7-3-4-12(10-21)15(22)19-9-11-5-6-13(18)8-14(11)17/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-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 3-N-[(2-chloro-4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 3242826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).