1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C17H22N4O4 — CID 46381273

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCc3ccco3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H22N4O4/c1-19-14(10-15(22)20(2)17(19)24)21-7-5-12(6-8-21)16(23)18-11-13-4-3-9-25-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,18,23)
InChIKeyOGJDIWBPUOHQAL-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.21
Rot. Bonds4

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46381273) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID46381273
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCc3ccco3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H22N4O4/c1-19-14(10-15(22)20(2)17(19)24)21-7-5-12(6-8-21)16(23)18-11-13-4-3-9-25-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,18,23)
InChIKeyOGJDIWBPUOHQAL-UHFFFAOYSA-N
XLogP0.21
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
CID 46381315
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
N-(furan-2-ylmethyl)-1-(2-hydroxybenzoyl)piperidine-4-carboxamide
CID 51102513
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
N-(furan-2-ylmethyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165720
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53070624
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 46381273) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NCc3ccco3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is OGJDIWBPUOHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-19-14(10-15(22)20(2)17(19)24)21-7-5-12(6-8-21)16(23)18-11-13-4-3-9-25-13/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,18,23).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46381273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).