6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one

C30H40F2N6O3 — CID 146627487

About 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one

6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (PubChem CID 146627487) has the molecular formula C30H40F2N6O3 and a molecular weight of 570.69 g/mol. Its IUPAC name is 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
• PubChem CID: 146627487
• Molecular Formula: C30H40F2N6O3
• Molecular Weight: 570.69 g/mol
• Exact Mass: 570.31
• IUPAC Name: 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
• SMILES: O=C(N1CC[C@@](O)(Cn2cnc(N3CCCC(F)(F)C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
• InChI: InChI=1S/C30H40F2N6O3/c31-30(32)11-6-14-35(21-30)25-17-26(39)37(22-34-25)20-29(41)12-15-36(19-28(29)9-4-5-10-28)27(40)38-16-13-33-18-24(38)23-7-2-1-3-8-23/h1-3,7-8,17,22,24,33,41H,4-6,9-16,18-21H2/t24-,29+/m0/s1
• InChIKey: DVNHDQTUTDXVJR-PWUYWRBVSA-N
• XLogP: 3.24
• TPSA: 93.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.69
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?

The IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (CID 146627487) is 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.

What is the SMILES notation for 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?

The canonical SMILES for 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is O=C(N1CC[C@@](O)(Cn2cnc(N3CCCC(F)(F)C3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.

What is the InChIKey of 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?

The InChIKey is DVNHDQTUTDXVJR-PWUYWRBVSA-N. The full InChI is InChI=1S/C30H40F2N6O3/c31-30(32)11-6-14-35(21-30)25-17-26(39)37(22-34-25)20-29(41)12-15-36(19-28(29)9-4-5-10-28)27(40)38-16-13-33-18-24(38)23-7-2-1-3-8-23/h1-3,7-8,17,22,24,33,41H,4-6,9-16,18-21H2/t24-,29+/m0/s1.

What are the key properties of 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?

6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one has a molecular weight of 570.69 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,3-difluoropiperidin-1-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 146627487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).