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

C19H24N4O2S — CID 136682513

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CCCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O2S/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/h8,11-14H,1-7,9-10H2,(H,21,22,24)
InChIKeyDWFVGVZAMQRTJD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds3

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

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136682513) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136682513
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CCCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O2S/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/h8,11-14H,1-7,9-10H2,(H,21,22,24)
InChIKeyDWFVGVZAMQRTJD-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136682513) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=C(C1CCCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is DWFVGVZAMQRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/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/h8,11-14H,1-7,9-10H2,(H,21,22,24).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 372.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).