N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

C23H27N3O4S — CID 42378517

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 42378517) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
• PubChem CID: 42378517
• Molecular Formula: C23H27N3O4S
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.17
• IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
• SMILES: NC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1
• InChI: InChI=1S/C23H27N3O4S/c24-22(27)21(17-5-2-1-3-6-17)25-23(28)18-11-13-26(14-12-18)31(29,30)20-10-9-16-7-4-8-19(16)15-20/h1-3,5-6,9-10,15,18,21H,4,7-8,11-14H2,(H2,24,27)(H,25,28)/t21-/m1/s1
• InChIKey: ZKMQGWQUOHYFIH-OAQYLSRUSA-N
• XLogP: 1.92
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?

The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (CID 42378517) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is NC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1.

What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?

The InChIKey is ZKMQGWQUOHYFIH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O4S/c24-22(27)21(17-5-2-1-3-6-17)25-23(28)18-11-13-26(14-12-18)31(29,30)20-10-9-16-7-4-8-19(16)15-20/h1-3,5-6,9-10,15,18,21H,4,7-8,11-14H2,(H2,24,27)(H,25,28)/t21-/m1/s1.

What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42378517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).