1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C32H41N3O — CID 142302558

About 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 142302558) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
• PubChem CID: 142302558
• Molecular Formula: C32H41N3O
• Molecular Weight: 483.70 g/mol
• Exact Mass: 483.32
• IUPAC Name: 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
• SMILES: C=C/C=C(\C=C(\C)C(C)CC)c1[nH]c2ccc(C3CCN(C(=O)C4(C#N)CC4)CC3)cc2c1C(C)C
• InChI: InChI=1S/C32H41N3O/c1-7-9-26(18-23(6)22(5)8-2)30-29(21(3)4)27-19-25(10-11-28(27)34-30)24-12-16-35(17-13-24)31(36)32(20-33)14-15-32/h7,9-11,18-19,21-22,24,34H,1,8,12-17H2,2-6H3/b23-18-,26-9+
• InChIKey: QVMKCNHCBFAKPJ-UZSOSEJZSA-N
• XLogP: 7.86
• TPSA: 59.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.70
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The IUPAC name of 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 142302558) is 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is C=C/C=C(\C=C(\C)C(C)CC)c1[nH]c2ccc(C3CCN(C(=O)C4(C#N)CC4)CC3)cc2c1C(C)C.

What is the InChIKey of 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The InChIKey is QVMKCNHCBFAKPJ-UZSOSEJZSA-N. The full InChI is InChI=1S/C32H41N3O/c1-7-9-26(18-23(6)22(5)8-2)30-29(21(3)4)27-19-25(10-11-28(27)34-30)24-12-16-35(17-13-24)31(36)32(20-33)14-15-32/h7,9-11,18-19,21-22,24,34H,1,8,12-17H2,2-6H3/b23-18-,26-9+.

What are the key properties of 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 483.70 g/mol, XLogP of 7.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 142302558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).