2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone

C21H25N5O2 — CID 110197628

IUPAC2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCN(C(=O)Cn2ccnc2)CC1
InChIInChI=1S/C21H25N5O2/c1-28-15-2-3-18-17(12-15)16-4-7-23-21(20(16)24-18)5-9-26(10-6-21)19(27)13-25-11-8-22-14-25/h2-3,8,11-12,14,23-24H,4-7,9-10,13H2,1H3
InChIKeyXRCXDYOYIXIKIM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.04
Rot. Bonds3

About 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone

2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone (PubChem CID 110197628) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone
PubChem CID110197628
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC31CCN(C(=O)Cn2ccnc2)CC1
InChIInChI=1S/C21H25N5O2/c1-28-15-2-3-18-17(12-15)16-4-7-23-21(20(16)24-18)5-9-26(10-6-21)19(27)13-25-11-8-22-14-25/h2-3,8,11-12,14,23-24H,4-7,9-10,13H2,1H3
InChIKeyXRCXDYOYIXIKIM-UHFFFAOYSA-N
XLogP2.04
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone (CID 110197628) is 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone is COc1ccc2[nH]c3c(c2c1)CCNC31CCN(C(=O)Cn2ccnc2)CC1.
What is the InChIKey of 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone?
The InChIKey is XRCXDYOYIXIKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-15-2-3-18-17(12-15)16-4-7-23-21(20(16)24-18)5-9-26(10-6-21)19(27)13-25-11-8-22-14-25/h2-3,8,11-12,14,23-24H,4-7,9-10,13H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone?
2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone has a molecular weight of 379.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 110197628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).