2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C19H22N4O2S — CID 136881665

IUPAC2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CC=CCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H22N4O2S/c24-16-12-15(18-20-8-11-26-18)21-17(22-16)13-6-9-23(10-7-13)19(25)14-4-2-1-3-5-14/h1-2,8,11-14H,3-7,9-10H2,(H,21,22,24)
InChIKeyROHQZHOLGPFKJF-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.96
Rot. Bonds3

About 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136881665) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136881665
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CC=CCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H22N4O2S/c24-16-12-15(18-20-8-11-26-18)21-17(22-16)13-6-9-23(10-7-13)19(25)14-4-2-1-3-5-14/h1-2,8,11-14H,3-7,9-10H2,(H,21,22,24)
InChIKeyROHQZHOLGPFKJF-UHFFFAOYSA-N
XLogP2.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopenten-1-yl]spiro[3,5,7,8-tetrahydroquinazoline-6,1'-cyclopropane]-4-one
CID 136951815
2-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132643
5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132644
6-isobutyl-4-{[2-(1,3-thiazol-2-yl)piperidin-1-yl]carbonyl}pyrimidin-2(1H)-one
CID 131933859
2-(2,3,4,5-Tetrahydropyridin-6-yl)-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862316
2-Cyclohexyl-6-(1,3-thiazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862327
2-[4-(2-ethyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-1,3-thiazol-2-ylacetamide
CID 135966346
2,4-dimethyl-5-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136234918
2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136682512
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136682513
2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136682518
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136707469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136881665) is 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=C(C1CC=CCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ROHQZHOLGPFKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-16-12-15(18-20-8-11-26-18)21-17(22-16)13-6-9-23(10-7-13)19(25)14-4-2-1-3-5-14/h1-2,8,11-14H,3-7,9-10H2,(H,21,22,24).
What are the key properties of 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 370.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).