N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride

C21H25ClN4O2 — CID 154897183

IUPACN-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-22-19(26)16-8-6-15(7-9-16)14-25-18-5-3-2-4-17(18)24-21(20(25)27)10-12-23-13-11-21;/h2-9,23-24H,10-14H2,1H3,(H,22,26);1H
InChIKeyWIVBCALWILDZDZ-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride

N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride (PubChem CID 154897183) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
PubChem CID154897183
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC NameN-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1.Cl
InChIInChI=1S/C21H24N4O2.ClH/c1-22-19(26)16-8-6-15(7-9-16)14-25-18-5-3-2-4-17(18)24-21(20(25)27)10-12-23-13-11-21;/h2-9,23-24H,10-14H2,1H3,(H,22,26);1H
InChIKeyWIVBCALWILDZDZ-UHFFFAOYSA-N
XLogP2.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154895737
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
CID 96575818
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70728043
1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897227
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride (CID 154897183) is N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride is CNC(=O)c1ccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1.Cl.
What is the InChIKey of N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is WIVBCALWILDZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.ClH/c1-22-19(26)16-8-6-15(7-9-16)14-25-18-5-3-2-4-17(18)24-21(20(25)27)10-12-23-13-11-21;/h2-9,23-24H,10-14H2,1H3,(H,22,26);1H.
What are the key properties of N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride?
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 154897183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).