1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C20H29N3O2 — CID 70736582

IUPAC1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC1(C)CC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CCO1
InChIInChI=1S/C20H29N3O2/c1-19(2)13-15(7-12-25-19)14-23-10-8-20(9-11-23)18(24)21-16-5-3-4-6-17(16)22-20/h3-6,15,22H,7-14H2,1-2H3,(H,21,24)
InChIKeyNCRAGSATGYKRBI-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.09
Rot. Bonds2

About 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70736582) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70736582
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC1(C)CC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CCO1
InChIInChI=1S/C20H29N3O2/c1-19(2)13-15(7-12-25-19)14-23-10-8-20(9-11-23)18(24)21-16-5-3-4-6-17(16)22-20/h3-6,15,22H,7-14H2,1-2H3,(H,21,24)
InChIKeyNCRAGSATGYKRBI-UHFFFAOYSA-N
XLogP3.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70731941
1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70758496
1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768593
1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131951371
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70719989
1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70764639
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 126434003
1-[(2,2-dimethyloxan-4-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77080780
1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580067
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774354
1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70707006

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70736582) is 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC1(C)CC(CN2CCC3(CC2)Nc2ccccc2NC3=O)CCO1.
What is the InChIKey of 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is NCRAGSATGYKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-19(2)13-15(7-12-25-19)14-23-10-8-20(9-11-23)18(24)21-16-5-3-4-6-17(16)22-20/h3-6,15,22H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 343.47 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,2-dimethyloxan-4-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70736582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).