6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide

C16H24N4O3 — CID 162628277

IUPAC6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(2)15(22)20-6-4-12(5-7-20)9-17-14(21)13-8-11(3)18-16(23)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,19,23)
InChIKeyLCQRPGZXIBNLQF-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.70
Rot. Bonds4

About 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide

6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 162628277) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID162628277
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(2)15(22)20-6-4-12(5-7-20)9-17-14(21)13-8-11(3)18-16(23)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,19,23)
InChIKeyLCQRPGZXIBNLQF-UHFFFAOYSA-N
XLogP0.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-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
2-Oxo-N-(4-piperidyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 169489623
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
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
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
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
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-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 162628277) is 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LCQRPGZXIBNLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)15(22)20-6-4-12(5-7-20)9-17-14(21)13-8-11(3)18-16(23)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,19,23).
What are the key properties of 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 162628277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).