3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one

C16H20N4O2S — CID 126944759

IUPAC3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncc(CC(=O)N2CCC(Cn3cnccc3=O)CC2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-18-9-14(23-12)8-16(22)19-6-3-13(4-7-19)10-20-11-17-5-2-15(20)21/h2,5,9,11,13H,3-4,6-8,10H2,1H3
InChIKeyKYBDHUZRWLKSDO-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.49
Rot. Bonds4

About 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944759) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944759
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncc(CC(=O)N2CCC(Cn3cnccc3=O)CC2)s1
InChIInChI=1S/C16H20N4O2S/c1-12-18-9-14(23-12)8-16(22)19-6-3-13(4-7-19)10-20-11-17-5-2-15(20)21/h2,5,9,11,13H,3-4,6-8,10H2,1H3
InChIKeyKYBDHUZRWLKSDO-UHFFFAOYSA-N
XLogP1.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944715
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944972
N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126944737
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944971
3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944941
1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 154884009
3-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944940
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
2-[2-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914405

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944759) is 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncc(CC(=O)N2CCC(Cn3cnccc3=O)CC2)s1.
What is the InChIKey of 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is KYBDHUZRWLKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-18-9-14(23-12)8-16(22)19-6-3-13(4-7-19)10-20-11-17-5-2-15(20)21/h2,5,9,11,13H,3-4,6-8,10H2,1H3.
What are the key properties of 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).