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

C14H20N4O2S — CID 752301

IUPAC1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O2S/c1-9-7-10(2)17-14(16-9)21-8-12(19)18-5-3-11(4-6-18)13(15)20/h7,11H,3-6,8H2,1-2H3,(H2,15,20)
InChIKeyQVYGWPZCXIWWDM-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.91
Rot. Bonds4

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

1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 752301) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID752301
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O2S/c1-9-7-10(2)17-14(16-9)21-8-12(19)18-5-3-11(4-6-18)13(15)20/h7,11H,3-6,8H2,1-2H3,(H2,15,20)
InChIKeyQVYGWPZCXIWWDM-UHFFFAOYSA-N
XLogP0.91
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (CID 752301) is 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is QVYGWPZCXIWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9-7-10(2)17-14(16-9)21-8-12(19)18-5-3-11(4-6-18)13(15)20/h7,11H,3-6,8H2,1-2H3,(H2,15,20).
What are the key properties of 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 752301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).