1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C20H27N5O — CID 70748231

IUPAC1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCCCc1ncc(CN2CCC3(CC2)Nc2ccccc2NC3=O)[nH]1
InChIInChI=1S/C20H27N5O/c1-2-3-8-18-21-13-15(22-18)14-25-11-9-20(10-12-25)19(26)23-16-6-4-5-7-17(16)24-20/h4-7,13,24H,2-3,8-12,14H2,1H3,(H,21,22)(H,23,26)
InChIKeyCAEKLDJWTGHCMP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.15
Rot. Bonds5

About 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70748231) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70748231
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCCCc1ncc(CN2CCC3(CC2)Nc2ccccc2NC3=O)[nH]1
InChIInChI=1S/C20H27N5O/c1-2-3-8-18-21-13-15(22-18)14-25-11-9-20(10-12-25)19(26)23-16-6-4-5-7-17(16)24-20/h4-7,13,24H,2-3,8-12,14H2,1H3,(H,21,22)(H,23,26)
InChIKeyCAEKLDJWTGHCMP-UHFFFAOYSA-N
XLogP3.15
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70748231) is 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CCCCc1ncc(CN2CCC3(CC2)Nc2ccccc2NC3=O)[nH]1.
What is the InChIKey of 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is CAEKLDJWTGHCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-3-8-18-21-13-15(22-18)14-25-11-9-20(10-12-25)19(26)23-16-6-4-5-7-17(16)24-20/h4-7,13,24H,2-3,8-12,14H2,1H3,(H,21,22)(H,23,26).
What are the key properties of 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 353.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70748231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).