4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H25N5O3 — CID 136967921

IUPAC4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CCCC(c3cc(=O)[nH]cn3)C2)c1C
InChIInChI=1S/C19H25N5O3/c1-12-19(14(3)25)13(2)24(22-12)8-6-18(27)23-7-4-5-15(10-23)16-9-17(26)21-11-20-16/h9,11,15H,4-8,10H2,1-3H3,(H,20,21,26)
InChIKeySKWSNIIBUROSCP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.58
Rot. Bonds5

About 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136967921) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136967921
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCC(=O)c1c(C)nn(CCC(=O)N2CCCC(c3cc(=O)[nH]cn3)C2)c1C
InChIInChI=1S/C19H25N5O3/c1-12-19(14(3)25)13(2)24(22-12)8-6-18(27)23-7-4-5-15(10-23)16-9-17(26)21-11-20-16/h9,11,15H,4-8,10H2,1-3H3,(H,20,21,26)
InChIKeySKWSNIIBUROSCP-UHFFFAOYSA-N
XLogP1.58
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136664782
4-[(3R)-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136816938
(1S,5R)-7-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155496219
3-[(3R,4S)-1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-4-(dimethylamino)piperidin-3-yl]propanoic acid
CID 72927712
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166618342
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564
N-(3-chloro-2-methylphenyl)-3-oxo-3-[3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]propanamide
CID 137253242
4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136803023
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940
N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150709
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 136736985

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136967921) is 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is CC(=O)c1c(C)nn(CCC(=O)N2CCCC(c3cc(=O)[nH]cn3)C2)c1C.
What is the InChIKey of 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is SKWSNIIBUROSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-19(14(3)25)13(2)24(22-12)8-6-18(27)23-7-4-5-15(10-23)16-9-17(26)21-11-20-16/h9,11,15H,4-8,10H2,1-3H3,(H,20,21,26).
What are the key properties of 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).