1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one

C30H47F2N5O5S2 — CID 11592702

About 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one

1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one (PubChem CID 11592702) has the molecular formula C30H47F2N5O5S2 and a molecular weight of 659.87 g/mol. Its IUPAC name is 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one
• PubChem CID: 11592702
• Molecular Formula: C30H47F2N5O5S2
• Molecular Weight: 659.87 g/mol
• Exact Mass: 659.30
• IUPAC Name: 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one
• SMILES: CS(=O)(=O)N1CCC(CN2CCN(C3CCN(CC[C@@H](c4cc(F)cc(F)c4)C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)CC1
• InChI: InChI=1S/C30H47F2N5O5S2/c1-43(39,40)35-13-3-23(4-14-35)22-34-17-18-37(30(34)38)28-7-10-33(11-8-28)12-9-29(25-19-26(31)21-27(32)20-25)24-5-15-36(16-6-24)44(2,41)42/h19-21,23-24,28-29H,3-18,22H2,1-2H3/t29-/m1/s1
• InChIKey: GWBWFUTZRACQCL-GDLZYMKVSA-N
• XLogP: 2.98
• TPSA: 101.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.87
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one?

The IUPAC name of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one (CID 11592702) is 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one?

The canonical SMILES for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one is CS(=O)(=O)N1CCC(CN2CCN(C3CCN(CC[C@@H](c4cc(F)cc(F)c4)C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)CC1.

What is the InChIKey of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one?

The InChIKey is GWBWFUTZRACQCL-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H47F2N5O5S2/c1-43(39,40)35-13-3-23(4-14-35)22-34-17-18-37(30(34)38)28-7-10-33(11-8-28)12-9-29(25-19-26(31)21-27(32)20-25)24-5-15-36(16-6-24)44(2,41)42/h19-21,23-24,28-29H,3-18,22H2,1-2H3/t29-/m1/s1.

What are the key properties of 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one?

1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one has a molecular weight of 659.87 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 11592702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).