N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide

C22H30N4O — CID 135229011

About N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide

N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide (PubChem CID 135229011) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
• PubChem CID: 135229011
• Molecular Formula: C22H30N4O
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.24
• IUPAC Name: N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide
• SMILES: CC(C)(C)NC(=O)N1CCC(CC[C@@H]2c3ccccc3-c3cncn32)CC1
• InChI: InChI=1S/C22H30N4O/c1-22(2,3)24-21(27)25-12-10-16(11-13-25)8-9-19-17-6-4-5-7-18(17)20-14-23-15-26(19)20/h4-7,14-16,19H,8-13H2,1-3H3,(H,24,27)/t19-/m1/s1
• InChIKey: QWCWSLGHHJBYQK-LJQANCHMSA-N
• XLogP: 4.45
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?

The IUPAC name of N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide (CID 135229011) is N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide.

What is the SMILES notation for N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?

The canonical SMILES for N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CC[C@@H]2c3ccccc3-c3cncn32)CC1.

What is the InChIKey of N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?

The InChIKey is QWCWSLGHHJBYQK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O/c1-22(2,3)24-21(27)25-12-10-16(11-13-25)8-9-19-17-6-4-5-7-18(17)20-14-23-15-26(19)20/h4-7,14-16,19H,8-13H2,1-3H3,(H,24,27)/t19-/m1/s1.

What are the key properties of N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide?

N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 135229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).