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

C17H22N4O3S — CID 53107417

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3cccs3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H22N4O3S/c1-19-14(9-15(22)20(2)17(19)24)21-7-3-5-12(11-21)16(23)18-10-13-6-4-8-25-13/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H,18,23)
InChIKeyFMAVOOPUMJVPSI-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.68
Rot. Bonds4

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 53107417) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID53107417
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCc3cccs3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H22N4O3S/c1-19-14(9-15(22)20(2)17(19)24)21-7-3-5-12(11-21)16(23)18-10-13-6-4-8-25-13/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H,18,23)
InChIKeyFMAVOOPUMJVPSI-UHFFFAOYSA-N
XLogP0.68
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 53107417) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCc3cccs3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FMAVOOPUMJVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-19-14(9-15(22)20(2)17(19)24)21-7-3-5-12(11-21)16(23)18-10-13-6-4-8-25-13/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H,18,23).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 0.68, 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-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).