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

C17H26N4O3 — CID 91772642

IUPACN-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(=O)N1CCCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C17H26N4O3/c1-11(22)21-7-5-6-12(10-21)9-18-15(23)13-8-14(17(2,3)4)20-16(24)19-13/h8,12H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,20,24)
InChIKeyYOWKTSVPMMCOLW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.06
Rot. Bonds3

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

N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91772642) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91772642
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(=O)N1CCCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C17H26N4O3/c1-11(22)21-7-5-6-12(10-21)9-18-15(23)13-8-14(17(2,3)4)20-16(24)19-13/h8,12H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,20,24)
InChIKeyYOWKTSVPMMCOLW-UHFFFAOYSA-N
XLogP1.06
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-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
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-(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 N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 91772642) is N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide is CC(=O)N1CCCC(CNC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1.
What is the InChIKey of N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is YOWKTSVPMMCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(22)21-7-5-6-12(10-21)9-18-15(23)13-8-14(17(2,3)4)20-16(24)19-13/h8,12H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,20,24).
What are the key properties of N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-3-yl)methyl]-6-tert-butyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91772642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).