N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C20H25ClN4O — CID 3223321

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H25ClN4O/c1-14-13-15(2)24-20(23-14)25-11-8-17(9-12-25)19(26)22-10-7-16-3-5-18(21)6-4-16/h3-6,13,17H,7-12H2,1-2H3,(H,22,26)
InChIKeyZBDHZGNCQHZPGG-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223321) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223321
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H25ClN4O/c1-14-13-15(2)24-20(23-14)25-11-8-17(9-12-25)19(26)22-10-7-16-3-5-18(21)6-4-16/h3-6,13,17H,7-12H2,1-2H3,(H,22,26)
InChIKeyZBDHZGNCQHZPGG-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide 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 N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223321) is N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is ZBDHZGNCQHZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-14-13-15(2)24-20(23-14)25-11-8-17(9-12-25)19(26)22-10-7-16-3-5-18(21)6-4-16/h3-6,13,17H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).