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

C20H25FN4O — CID 651412

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1
InChIInChI=1S/C20H25FN4O/c1-14-11-15(2)24-20(23-14)25-10-4-6-17(13-25)19(26)22-9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3,(H,22,26)
InChIKeyICAPVWJPTJMXBD-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.81
Rot. Bonds5

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

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 651412) 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-(3-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID651412
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1
InChIInChI=1S/C20H25FN4O/c1-14-11-15(2)24-20(23-14)25-10-4-6-17(13-25)19(26)22-9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3,(H,22,26)
InChIKeyICAPVWJPTJMXBD-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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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
2-amino-4-[[(1S)-1-(7-fluoro-4-oxo-3-phenylquinolizin-2-yl)ethyl]amino]-6-methylpyrimidine-5-carbonitrile
CID 118630968

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 651412) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is ICAPVWJPTJMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-11-15(2)24-20(23-14)25-10-4-6-17(13-25)19(26)22-9-8-16-5-3-7-18(21)12-16/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3,(H,22,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(3-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-(3-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 651412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).