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

C30H32N4O2S — CID 23113298

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

1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 23113298) has the molecular formula C30H32N4O2S and a molecular weight of 512.68 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]-2-phenylethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
• PubChem CID: 23113298
• Molecular Formula: C30H32N4O2S
• Molecular Weight: 512.68 g/mol
• Exact Mass: 512.22
• IUPAC Name: 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
• SMILES: O=C(Cc1ccccc1)N1CCC(c2nc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)cs2)CC1
• InChI: InChI=1S/C30H32N4O2S/c35-28(18-21-6-2-1-3-7-21)33-14-12-23(13-15-33)29-32-27(20-37-29)30(36)34-16-10-22(11-17-34)25-19-31-26-9-5-4-8-24(25)26/h1-9,19-20,22-23,31H,10-18H2
• InChIKey: JZHTVMQVLMGMEJ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.68
LogP ≤ 5	5.59
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]-2-phenylethanone?

The IUPAC name of 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone (CID 23113298) is 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone.

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]-2-phenylethanone?

The canonical SMILES for 1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)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]-2-phenylethanone?

The InChIKey is JZHTVMQVLMGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2S/c35-28(18-21-6-2-1-3-7-21)33-14-12-23(13-15-33)29-32-27(20-37-29)30(36)34-16-10-22(11-17-34)25-19-31-26-9-5-4-8-24(25)26/h1-9,19-20,22-23,31H,10-18H2.

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]-2-phenylethanone?

1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 512.68 g/mol, XLogP of 5.59, 5 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]-2-phenylethanone is sourced from PubChem (CID 23113298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).