1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride

C17H19Cl2N3OS — CID 154897153

IUPAC1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1N(Cc2ccc(Cl)s2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C17H18ClN3OS.ClH/c18-15-6-5-12(23-15)11-21-14-4-2-1-3-13(14)20-17(16(21)22)7-9-19-10-8-17;/h1-6,19-20H,7-11H2;1H
InChIKeyBABPJDAISFCRGO-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.90
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride

1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 154897153) has the molecular formula C17H19Cl2N3OS and a molecular weight of 384.33 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
PubChem CID154897153
Molecular FormulaC17H19Cl2N3OS
Molecular Weight384.33 g/mol
Exact Mass383.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1N(Cc2ccc(Cl)s2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C17H18ClN3OS.ClH/c18-15-6-5-12(23-15)11-21-14-4-2-1-3-13(14)20-17(16(21)22)7-9-19-10-8-17;/h1-6,19-20H,7-11H2;1H
InChIKeyBABPJDAISFCRGO-UHFFFAOYSA-N
XLogP3.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (CID 154897153) is 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is Cl.O=C1N(Cc2ccc(Cl)s2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is BABPJDAISFCRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS.ClH/c18-15-6-5-12(23-15)11-21-14-4-2-1-3-13(14)20-17(16(21)22)7-9-19-10-8-17;/h1-6,19-20H,7-11H2;1H.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 384.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 154897153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).