ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen

C32H45N5O7 — CID 171072497

About ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen

ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen (PubChem CID 171072497) has the molecular formula C32H45N5O7 and a molecular weight of 611.74 g/mol. Its IUPAC name is ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen
• PubChem CID: 171072497
• Molecular Formula: C32H45N5O7
• Molecular Weight: 611.74 g/mol
• Exact Mass: 611.33
• IUPAC Name: ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen
• SMILES: CC.CC(C)COC(=O)N1CC2CCC(C1)N2C(=O)C1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.[H][H]
• InChI: InChI=1S/C30H37N5O7.C2H6.H2/c1-17(2)16-42-30(41)33-14-20-3-4-21(15-33)34(20)27(38)18-9-11-32(12-10-18)19-5-6-22-23(13-19)29(40)35(28(22)39)24-7-8-25(36)31-26(24)37;1-2;/h5-6,13,17-18,20-21,24H,3-4,7-12,14-16H2,1-2H3,(H,31,36,37);1-2H3;1H
• InChIKey: JNBAXOFEAWSIFQ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 136.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.74
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen?

The IUPAC name of ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen (CID 171072497) is ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen.

What is the SMILES notation for ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen?

The canonical SMILES for ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen is CC.CC(C)COC(=O)N1CC2CCC(C1)N2C(=O)C1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.[H][H].

What is the InChIKey of ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen?

The InChIKey is JNBAXOFEAWSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O7.C2H6.H2/c1-17(2)16-42-30(41)33-14-20-3-4-21(15-33)34(20)27(38)18-9-11-32(12-10-18)19-5-6-22-23(13-19)29(40)35(28(22)39)24-7-8-25(36)31-26(24)37;1-2;/h5-6,13,17-18,20-21,24H,3-4,7-12,14-16H2,1-2H3,(H,31,36,37);1-2H3;1H.

What are the key properties of ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen?

ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen has a molecular weight of 611.74 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methylpropyl 8-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 171072497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).