1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C18H27N3O — CID 70754645

IUPAC1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCCCC(C)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C18H27N3O/c1-3-4-7-14(2)21-12-10-18(11-13-21)17(22)19-15-8-5-6-9-16(15)20-18/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,19,22)
InChIKeyMWVMRMVXVFGCFB-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.46
Rot. Bonds4

About 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70754645) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70754645
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCCCC(C)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C18H27N3O/c1-3-4-7-14(2)21-12-10-18(11-13-21)17(22)19-15-8-5-6-9-16(15)20-18/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,19,22)
InChIKeyMWVMRMVXVFGCFB-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70754645) is 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CCCCC(C)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is MWVMRMVXVFGCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-4-7-14(2)21-12-10-18(11-13-21)17(22)19-15-8-5-6-9-16(15)20-18/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3,(H,19,22).
What are the key properties of 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70754645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).