1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide

C14H20N4O3S — CID 42739335

IUPAC1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O3S/c1-9-7-11(19)17(2)14(16-9)22-8-12(20)18-5-3-10(4-6-18)13(15)21/h7,10H,3-6,8H2,1-2H3,(H2,15,21)
InChIKeyLIKPYIKBAUTIDZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.10
Rot. Bonds4

About 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide

1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 42739335) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID42739335
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O3S/c1-9-7-11(19)17(2)14(16-9)22-8-12(20)18-5-3-10(4-6-18)13(15)21/h7,10H,3-6,8H2,1-2H3,(H2,15,21)
InChIKeyLIKPYIKBAUTIDZ-UHFFFAOYSA-N
XLogP-0.10
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (CID 42739335) is 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is Cc1cc(=O)n(C)c(SCC(=O)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is LIKPYIKBAUTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9-7-11(19)17(2)14(16-9)22-8-12(20)18-5-3-10(4-6-18)13(15)21/h7,10H,3-6,8H2,1-2H3,(H2,15,21).
What are the key properties of 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 42739335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).