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

C19H24N4O3S — CID 136682517

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

2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136682517) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
• PubChem CID: 136682517
• Molecular Formula: C19H24N4O3S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.16
• IUPAC Name: 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
• SMILES: O=C(CC[C@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1
• InChI: InChI=1S/C19H24N4O3S/c24-16-12-15(19-20-7-11-27-19)21-18(22-16)13-5-8-23(9-6-13)17(25)4-3-14-2-1-10-26-14/h7,11-14H,1-6,8-10H2,(H,21,22,24)/t14-/m1/s1
• InChIKey: DQWCQJQWHMSNFP-CQSZACIVSA-N
• XLogP: 2.56
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?

The IUPAC name of 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136682517) is 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?

The canonical SMILES for 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=C(CC[C@H]1CCCO1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1.

What is the InChIKey of 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?

The InChIKey is DQWCQJQWHMSNFP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-16-12-15(19-20-7-11-27-19)21-18(22-16)13-5-8-23(9-6-13)17(25)4-3-14-2-1-10-26-14/h7,11-14H,1-6,8-10H2,(H,21,22,24)/t14-/m1/s1.

What are the key properties of 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?

2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 388.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136682517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).