2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

C19H27N5O2 — CID 136664782

IUPAC2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN(C(=O)CCn3nc(C)c(C)c3C)C2)cc(=O)[nH]1
InChIInChI=1S/C19H27N5O2/c1-12-13(2)22-24(14(12)3)9-7-19(26)23-8-5-6-16(11-23)17-10-18(25)21-15(4)20-17/h10,16H,5-9,11H2,1-4H3,(H,20,21,25)
InChIKeyCPRVCMWGXBLJKD-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136664782) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136664782
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN(C(=O)CCn3nc(C)c(C)c3C)C2)cc(=O)[nH]1
InChIInChI=1S/C19H27N5O2/c1-12-13(2)22-24(14(12)3)9-7-19(26)23-8-5-6-16(11-23)17-10-18(25)21-15(4)20-17/h10,16H,5-9,11H2,1-4H3,(H,20,21,25)
InChIKeyCPRVCMWGXBLJKD-UHFFFAOYSA-N
XLogP2.00
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136967921
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
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825
2-methyl-4-[1-(4-phenylmethoxybutanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136665025
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535
5,5-dimethyl-3-[2-[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 136916514
2-methyl-4-[(3S)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706677
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
2-methyl-4-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706676
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 72916265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136664782) is 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCCN(C(=O)CCn3nc(C)c(C)c3C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is CPRVCMWGXBLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-13(2)22-24(14(12)3)9-7-19(26)23-8-5-6-16(11-23)17-10-18(25)21-15(4)20-17/h10,16H,5-9,11H2,1-4H3,(H,20,21,25).
What are the key properties of 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 357.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136664782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).