1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C17H23N3O — CID 70740820

IUPAC1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCC2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C17H23N3O/c21-16-17(8-10-18-11-9-17)19-14-6-1-2-7-15(14)20(16)12-13-4-3-5-13/h1-2,6-7,13,18-19H,3-5,8-12H2
InChIKeyHGHPYRDDNCGCCT-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds2

About 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70740820) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70740820
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCC2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C17H23N3O/c21-16-17(8-10-18-11-9-17)19-14-6-1-2-7-15(14)20(16)12-13-4-3-5-13/h1-2,6-7,13,18-19H,3-5,8-12H2
InChIKeyHGHPYRDDNCGCCT-UHFFFAOYSA-N
XLogP2.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,1-dioxothian-3-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70711227
1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897227
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70728043
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
1-(cyclopropylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 121229489
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154895737
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70740820) is 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is O=C1N(CC2CCC2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is HGHPYRDDNCGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16-17(8-10-18-11-9-17)19-14-6-1-2-7-15(14)20(16)12-13-4-3-5-13/h1-2,6-7,13,18-19H,3-5,8-12H2.
What are the key properties of 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70740820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).