1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone

C26H27N5O — CID 10960879

IUPAC1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)N[C@@H](c1ncc(-c3ccccc3)[nH]1)Cc1c2[nH]c2ccccc12
InChIInChI=1S/C26H27N5O/c1-17(32)31-13-11-26(12-14-31)24-20(19-9-5-6-10-21(19)28-24)15-22(30-26)25-27-16-23(29-25)18-7-3-2-4-8-18/h2-10,16,22,28,30H,11-15H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyFDZYHAWONRWZSX-JOCHJYFZSA-N
MW425.54 g/mol
LogP4.28
Rot. Bonds2

About 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone

1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone (PubChem CID 10960879) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone
PubChem CID10960879
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)N[C@@H](c1ncc(-c3ccccc3)[nH]1)Cc1c2[nH]c2ccccc12
InChIInChI=1S/C26H27N5O/c1-17(32)31-13-11-26(12-14-31)24-20(19-9-5-6-10-21(19)28-24)15-22(30-26)25-27-16-23(29-25)18-7-3-2-4-8-18/h2-10,16,22,28,30H,11-15H2,1H3,(H,27,29)/t22-/m1/s1
InChIKeyFDZYHAWONRWZSX-JOCHJYFZSA-N
XLogP4.28
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone (CID 10960879) is 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)N[C@@H](c1ncc(-c3ccccc3)[nH]1)Cc1c2[nH]c2ccccc12.
What is the InChIKey of 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone?
The InChIKey is FDZYHAWONRWZSX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17(32)31-13-11-26(12-14-31)24-20(19-9-5-6-10-21(19)28-24)15-22(30-26)25-27-16-23(29-25)18-7-3-2-4-8-18/h2-10,16,22,28,30H,11-15H2,1H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone?
1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone has a molecular weight of 425.54 g/mol, XLogP of 4.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 10960879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).