1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C14H19N3O2 — CID 70768593

IUPAC1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(CCO)CC2
InChIInChI=1S/C14H19N3O2/c18-10-9-17-7-5-14(6-8-17)13(19)15-11-3-1-2-4-12(11)16-14/h1-4,16,18H,5-10H2,(H,15,19)
InChIKeyJHDSEJCQTYTZIT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds2

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

1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70768593) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70768593
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(CCO)CC2
InChIInChI=1S/C14H19N3O2/c18-10-9-17-7-5-14(6-8-17)13(19)15-11-3-1-2-4-12(11)16-14/h1-4,16,18H,5-10H2,(H,15,19)
InChIKeyJHDSEJCQTYTZIT-UHFFFAOYSA-N
XLogP0.88
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70768593) is 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1Nc2ccccc2NC12CCN(CCO)CC2.
What is the InChIKey of 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is JHDSEJCQTYTZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-10-9-17-7-5-14(6-8-17)13(19)15-11-3-1-2-4-12(11)16-14/h1-4,16,18H,5-10H2,(H,15,19).
What are the key properties of 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70768593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).