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

C17H21ClN4OS — CID 154895737

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCc1ncsc1CN1C(=O)C2(CCNCC2)Nc2ccccc21.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-12-15(23-11-19-12)10-21-14-5-3-2-4-13(14)20-17(16(21)22)6-8-18-9-7-17;/h2-5,11,18,20H,6-10H2,1H3;1H
InChIKeyZPRDXKJWGOOWJK-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.95
Rot. Bonds2

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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 154895737) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
PubChem CID154895737
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCc1ncsc1CN1C(=O)C2(CCNCC2)Nc2ccccc21.Cl
InChIInChI=1S/C17H20N4OS.ClH/c1-12-15(23-11-19-12)10-21-14-5-3-2-4-13(14)20-17(16(21)22)6-8-18-9-7-17;/h2-5,11,18,20H,6-10H2,1H3;1H
InChIKeyZPRDXKJWGOOWJK-UHFFFAOYSA-N
XLogP2.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (CID 154895737) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is Cc1ncsc1CN1C(=O)C2(CCNCC2)Nc2ccccc21.Cl.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is ZPRDXKJWGOOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS.ClH/c1-12-15(23-11-19-12)10-21-14-5-3-2-4-13(14)20-17(16(21)22)6-8-18-9-7-17;/h2-5,11,18,20H,6-10H2,1H3;1H.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 154895737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).