tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide

C57H78N6O7 — CID 159556903

About tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide

tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 159556903) has the molecular formula C57H78N6O7 and a molecular weight of 959.29 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
• PubChem CID: 159556903
• Molecular Formula: C57H78N6O7
• Molecular Weight: 959.29 g/mol
• Exact Mass: 958.59
• IUPAC Name: tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide
• SMILES: Cn1c2c(c3cc(C(=O)N4CCC[C@H](NC(=O)C5CC5)C4)ccc31)C[C@H](C1CCOCC1)CC2.Cn1c2c(c3cc(C(=O)N4CCC[C@H](NC(=O)OC(C)(C)C)C4)ccc31)C[C@H](C1CCOCC1)CC2
• InChI: InChI=1S/C29H41N3O4.C28H37N3O3/c1-29(2,3)36-28(34)30-22-6-5-13-32(18-22)27(33)21-8-10-26-24(17-21)23-16-20(7-9-25(23)31(26)4)19-11-14-35-15-12-19;1-30-25-8-6-20(18-10-13-34-14-11-18)15-23(25)24-16-21(7-9-26(24)30)28(33)31-12-2-3-22(17-31)29-27(32)19-4-5-19/h8,10,17,19-20,22H,5-7,9,11-16,18H2,1-4H3,(H,30,34);7,9,16,18-20,22H,2-6,8,10-15,17H2,1H3,(H,29,32)/t2*20-,22+/m11/s1
• InChIKey: MGCNCISEMFHDSA-ZCXQRDJISA-N
• XLogP: 8.68
• TPSA: 136.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.29
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?

The IUPAC name of tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide (CID 159556903) is tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide is Cn1c2c(c3cc(C(=O)N4CCC[C@H](NC(=O)C5CC5)C4)ccc31)C[C@H](C1CCOCC1)CC2.Cn1c2c(c3cc(C(=O)N4CCC[C@H](NC(=O)OC(C)(C)C)C4)ccc31)C[C@H](C1CCOCC1)CC2.

What is the InChIKey of tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?

The InChIKey is MGCNCISEMFHDSA-ZCXQRDJISA-N. The full InChI is InChI=1S/C29H41N3O4.C28H37N3O3/c1-29(2,3)36-28(34)30-22-6-5-13-32(18-22)27(33)21-8-10-26-24(17-21)23-16-20(7-9-25(23)31(26)4)19-11-14-35-15-12-19;1-30-25-8-6-20(18-10-13-34-14-11-18)15-23(25)24-16-21(7-9-26(24)30)28(33)31-12-2-3-22(17-31)29-27(32)19-4-5-19/h8,10,17,19-20,22H,5-7,9,11-16,18H2,1-4H3,(H,30,34);7,9,16,18-20,22H,2-6,8,10-15,17H2,1H3,(H,29,32)/t2*20-,22+/m11/s1.

What are the key properties of tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide?

tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 959.29 g/mol, XLogP of 8.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]carbamate;N-[(3S)-1-[(6R)-9-methyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carbonyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159556903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).