6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

C17H28N4O2 — CID 86283934

IUPAC6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)14-9-13(18-16(23)19-14)15(22)21(5)11-12-7-6-8-20(4)10-12/h9,12H,6-8,10-11H2,1-5H3,(H,18,19,23)
InChIKeySOKQAPAHEQJJFX-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.48
Rot. Bonds3

About 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 86283934) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID86283934
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)14-9-13(18-16(23)19-14)15(22)21(5)11-12-7-6-8-20(4)10-12/h9,12H,6-8,10-11H2,1-5H3,(H,18,19,23)
InChIKeySOKQAPAHEQJJFX-UHFFFAOYSA-N
XLogP1.48
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

US11787802, Example 23
CID 169489604
US11787802, Example 29
CID 169489608
US11787802, Example 86
CID 169489654
4-tert-butyl-6-{[4-(piperidin-1-ylmethyl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 91777675
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
6-tert-butyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 125173931
4-tert-butyl-6-{[(1S*,5R*)-3-methyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-2(1H)-pyrimidinone
CID 133111368
4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)-3-oxopropyl]pyrimidin-2(1H)-one
CID 50969823
4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-6-isobutylpyrimidin-2(1H)-one
CID 56704974
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56865748
6-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77092176
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 86283934) is 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is CN1CCCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1.
What is the InChIKey of 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is SOKQAPAHEQJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)14-9-13(18-16(23)19-14)15(22)21(5)11-12-7-6-8-20(4)10-12/h9,12H,6-8,10-11H2,1-5H3,(H,18,19,23).
What are the key properties of 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 86283934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).