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

C17H28N4O2 — CID 77094035

IUPAC6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21-8-6-12(7-9-21)11-18-15(22)13-10-14(17(2,3)4)20-16(23)19-13/h10,12H,5-9,11H2,1-4H3,(H,18,22)(H,19,20,23)
InChIKeyNVIBFTZWNIWLCD-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.53
Rot. Bonds4

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

6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 77094035) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID77094035
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21-8-6-12(7-9-21)11-18-15(22)13-10-14(17(2,3)4)20-16(23)19-13/h10,12H,5-9,11H2,1-4H3,(H,18,22)(H,19,20,23)
InChIKeyNVIBFTZWNIWLCD-UHFFFAOYSA-N
XLogP1.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
6-tert-butyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 125173931
4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-6-isobutylpyrimidin-2(1H)-one
CID 56704974
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
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 46990107
1-(2-{[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]amino}ethyl)piperidine-3-carboxamide
CID 46993557

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 77094035) is 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is CCN1CCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1.
What is the InChIKey of 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is NVIBFTZWNIWLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21-8-6-12(7-9-21)11-18-15(22)13-10-14(17(2,3)4)20-16(23)19-13/h10,12H,5-9,11H2,1-4H3,(H,18,22)(H,19,20,23).
What are the key properties of 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 77094035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).