1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C25H27FN4O3 — CID 46324206

IUPAC1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1F
InChIInChI=1S/C25H27FN4O3/c1-16-9-10-19(15-21(16)26)27-23(31)18-11-13-29(14-12-18)22-17(2)30(20-7-5-4-6-8-20)25(33)28(3)24(22)32/h4-10,15,18H,11-14H2,1-3H3,(H,27,31)
InChIKeyDOMSLTLYFTUCGB-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.15
Rot. Bonds4

About 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 46324206) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID46324206
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1F
InChIInChI=1S/C25H27FN4O3/c1-16-9-10-19(15-21(16)26)27-23(31)18-11-13-29(14-12-18)22-17(2)30(20-7-5-4-6-8-20)25(33)28(3)24(22)32/h4-10,15,18H,11-14H2,1-3H3,(H,27,31)
InChIKeyDOMSLTLYFTUCGB-UHFFFAOYSA-N
XLogP3.15
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)piperidine-4-carboxamide
CID 46324190
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781737
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92869473
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
N-(3-chloro-4-fluorophenyl)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381251
N-(3,4-difluorophenyl)-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843248
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
1-[1-(3-ethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 134789442
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 46324206) is 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1F.
What is the InChIKey of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is DOMSLTLYFTUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-16-9-10-19(15-21(16)26)27-23(31)18-11-13-29(14-12-18)22-17(2)30(20-7-5-4-6-8-20)25(33)28(3)24(22)32/h4-10,15,18H,11-14H2,1-3H3,(H,27,31).
What are the key properties of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46324206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).