1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile

C29H33N5O3 — CID 71472469

About 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile

1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile (PubChem CID 71472469) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile.

Molecular Properties

• Compound Name: 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile
• PubChem CID: 71472469
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile
• SMILES: C[C@@H]1CN(CC(=O)N2CC3(Cc4ccccc4C3)c3ccc(C#N)cc32)[C@@H](C(=O)N2CCOCC2)CN1
• InChI: InChI=1S/C29H33N5O3/c1-20-17-33(26(16-31-20)28(36)32-8-10-37-11-9-32)18-27(35)34-19-29(13-22-4-2-3-5-23(22)14-29)24-7-6-21(15-30)12-25(24)34/h2-7,12,20,26,31H,8-11,13-14,16-19H2,1H3/t20-,26-/m1/s1
• InChIKey: PCNFTUCVOVDHHQ-FQRUVTKNSA-N
• XLogP: 1.46
• TPSA: 88.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile?

The IUPAC name of 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile (CID 71472469) is 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile.

What is the SMILES notation for 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile?

The canonical SMILES for 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile is C[C@@H]1CN(CC(=O)N2CC3(Cc4ccccc4C3)c3ccc(C#N)cc32)[C@@H](C(=O)N2CCOCC2)CN1.

What is the InChIKey of 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile?

The InChIKey is PCNFTUCVOVDHHQ-FQRUVTKNSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-17-33(26(16-31-20)28(36)32-8-10-37-11-9-32)18-27(35)34-19-29(13-22-4-2-3-5-23(22)14-29)24-7-6-21(15-30)12-25(24)34/h2-7,12,20,26,31H,8-11,13-14,16-19H2,1H3/t20-,26-/m1/s1.

What are the key properties of 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile?

1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile has a molecular weight of 499.62 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]acetyl]spiro[1,3-dihydroindene-2,3'-2H-indole]-6'-carbonitrile is sourced from PubChem (CID 71472469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).