3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C17H23N5O3 — CID 126940597

IUPAC3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1nn(C)cc1C(=O)N1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C17H23N5O3/c1-12-8-18-11-22(16(12)23)9-13-4-6-21(7-5-13)17(24)14-10-20(2)19-15(14)25-3/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyFOQIJYOHWWLVCZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.85
Rot. Bonds4

About 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940597) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940597
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1nn(C)cc1C(=O)N1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C17H23N5O3/c1-12-8-18-11-22(16(12)23)9-13-4-6-21(7-5-13)17(24)14-10-20(2)19-15(14)25-3/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyFOQIJYOHWWLVCZ-UHFFFAOYSA-N
XLogP0.85
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940591
5-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940641
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940655
3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
CID 126857617
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
(3-methoxy-1-methylpyrazol-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 155954051
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
5-methyl-3-[[1-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940594

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940597) is 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is COc1nn(C)cc1C(=O)N1CCC(Cn2cncc(C)c2=O)CC1.
What is the InChIKey of 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is FOQIJYOHWWLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-8-18-11-22(16(12)23)9-13-4-6-21(7-5-13)17(24)14-10-20(2)19-15(14)25-3/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).