prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

C34H47N5O6 — CID 155633157

About prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 155633157) has the molecular formula C34H47N5O6 and a molecular weight of 621.78 g/mol. Its IUPAC name is prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

• Compound Name: prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
• PubChem CID: 155633157
• Molecular Formula: C34H47N5O6
• Molecular Weight: 621.78 g/mol
• Exact Mass: 621.35
• IUPAC Name: prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
• SMILES: C=CCOC(=O)N(CC1(c2noc(C3CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC3)n2)CC1)[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C34H47N5O6/c1-7-19-43-32(42)39(26-20-25(26)23-11-9-8-10-12-23)21-34(15-16-34)30-36-28(45-37-30)24-13-17-38(18-14-24)29(40)27(22(2)3)35-31(41)44-33(4,5)6/h7-12,22,24-27H,1,13-21H2,2-6H3,(H,35,41)/t25-,26+,27-/m0/s1
• InChIKey: UNTKRHPMZDEVIA-VJGNERBWSA-N
• XLogP: 5.54
• TPSA: 127.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.78
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The IUPAC name of prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 155633157) is prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

What is the SMILES notation for prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The canonical SMILES for prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is C=CCOC(=O)N(CC1(c2noc(C3CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC3)n2)CC1)[C@@H]1C[C@H]1c1ccccc1.

What is the InChIKey of prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

The InChIKey is UNTKRHPMZDEVIA-VJGNERBWSA-N. The full InChI is InChI=1S/C34H47N5O6/c1-7-19-43-32(42)39(26-20-25(26)23-11-9-8-10-12-23)21-34(15-16-34)30-36-28(45-37-30)24-13-17-38(18-14-24)29(40)27(22(2)3)35-31(41)44-33(4,5)6/h7-12,22,24-27H,1,13-21H2,2-6H3,(H,35,41)/t25-,26+,27-/m0/s1.

What are the key properties of prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?

prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 621.78 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 155633157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).