1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C20H25FN4O — CID 647754

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H25FN4O/c1-14-12-15(2)24-20(23-14)25-11-3-4-17(13-25)19(26)22-10-9-16-5-7-18(21)8-6-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,22,26)
InChIKeyNQKQLHLCRATFST-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.81
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 647754) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID647754
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H25FN4O/c1-14-12-15(2)24-20(23-14)25-11-3-4-17(13-25)19(26)22-10-9-16-5-7-18(21)8-6-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,22,26)
InChIKeyNQKQLHLCRATFST-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 647754) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is NQKQLHLCRATFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-12-15(2)24-20(23-14)25-11-3-4-17(13-25)19(26)22-10-9-16-5-7-18(21)8-6-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,22,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).