1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one

C37H38N4O2S — CID 11570732

About 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 11570732) has the molecular formula C37H38N4O2S and a molecular weight of 602.80 g/mol. Its IUPAC name is 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
• PubChem CID: 11570732
• Molecular Formula: C37H38N4O2S
• Molecular Weight: 602.80 g/mol
• Exact Mass: 602.27
• IUPAC Name: 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
• SMILES: O=C(CC(c1ccccc1)c1ccccc1)N1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1
• InChI: InChI=1S/C37H38N4O2S/c42-35(23-31(26-9-3-1-4-10-26)27-11-5-2-6-12-27)40-19-17-29(18-20-40)36-39-34(25-44-36)37(43)41-21-15-28(16-22-41)32-24-38-33-14-8-7-13-30(32)33/h1-14,24-25,28-29,31,38H,15-23H2
• InChIKey: YCOZSPQSRLJCBP-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.80
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one?

The IUPAC name of 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one (CID 11570732) is 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one.

What is the SMILES notation for 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one?

The canonical SMILES for 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1.

What is the InChIKey of 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one?

The InChIKey is YCOZSPQSRLJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4O2S/c42-35(23-31(26-9-3-1-4-10-26)27-11-5-2-6-12-27)40-19-17-29(18-20-40)36-39-34(25-44-36)37(43)41-21-15-28(16-22-41)32-24-38-33-14-8-7-13-30(32)33/h1-14,24-25,28-29,31,38H,15-23H2.

What are the key properties of 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one?

1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 602.80 g/mol, XLogP of 7.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 11570732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).