1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride

C18H26ClN3O2 — CID 154897227

IUPAC1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1N(CC2CCCCO2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C18H25N3O2.ClH/c22-17-18(8-10-19-11-9-18)20-15-6-1-2-7-16(15)21(17)13-14-5-3-4-12-23-14;/h1-2,6-7,14,19-20H,3-5,8-13H2;1H
InChIKeyXTQCWPNHAUNXTQ-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.56
Rot. Bonds2

About 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride

1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 154897227) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
PubChem CID154897227
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1N(CC2CCCCO2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C18H25N3O2.ClH/c22-17-18(8-10-19-11-9-18)20-15-6-1-2-7-16(15)21(17)13-14-5-3-4-12-23-14;/h1-2,6-7,14,19-20H,3-5,8-13H2;1H
InChIKeyXTQCWPNHAUNXTQ-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (CID 154897227) is 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is Cl.O=C1N(CC2CCCCO2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is XTQCWPNHAUNXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17-18(8-10-19-11-9-18)20-15-6-1-2-7-16(15)21(17)13-14-5-3-4-12-23-14;/h1-2,6-7,14,19-20H,3-5,8-13H2;1H.
What are the key properties of 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 154897227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).