1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide

C17H28N4O2 — CID 3228709

IUPAC1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C17H28N4O2/c1-6-17(3,4)20-15(22)13-8-7-9-21(11-13)16-18-12(2)10-14(19-16)23-5/h10,13H,6-9,11H2,1-5H3,(H,20,22)
InChIKeyDQJVEYIUBIQCSR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 3228709) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID3228709
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C17H28N4O2/c1-6-17(3,4)20-15(22)13-8-7-9-21(11-13)16-18-12(2)10-14(19-16)23-5/h10,13H,6-9,11H2,1-5H3,(H,20,22)
InChIKeyDQJVEYIUBIQCSR-UHFFFAOYSA-N
XLogP2.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide (CID 3228709) is 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide is CCC(C)(C)NC(=O)C1CCCN(c2nc(C)cc(OC)n2)C1.
What is the InChIKey of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is DQJVEYIUBIQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-6-17(3,4)20-15(22)13-8-7-9-21(11-13)16-18-12(2)10-14(19-16)23-5/h10,13H,6-9,11H2,1-5H3,(H,20,22).
What are the key properties of 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide?
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3228709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).