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

C18H22N4O2S — CID 136682512

IUPAC2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H22N4O2S/c23-15-11-14(17-19-7-10-25-17)20-16(21-15)12-5-8-22(9-6-12)18(24)13-3-1-2-4-13/h7,10-13H,1-6,8-9H2,(H,20,21,23)
InChIKeyHLBTUHWVQMGXRP-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.79
Rot. Bonds3

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

2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136682512) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136682512
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H22N4O2S/c23-15-11-14(17-19-7-10-25-17)20-16(21-15)12-5-8-22(9-6-12)18(24)13-3-1-2-4-13/h7,10-13H,1-6,8-9H2,(H,20,21,23)
InChIKeyHLBTUHWVQMGXRP-UHFFFAOYSA-N
XLogP2.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136682512) is 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=C(C1CCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HLBTUHWVQMGXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-15-11-14(17-19-7-10-25-17)20-16(21-15)12-5-8-22(9-6-12)18(24)13-3-1-2-4-13/h7,10-13H,1-6,8-9H2,(H,20,21,23).
What are the key properties of 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 358.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).