N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide

C23H28N4O2 — CID 96575818

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1
InChIInChI=1S/C23H28N4O2/c1-16-7-9-18(10-8-16)17(2)25-21(28)15-27-20-6-4-3-5-19(20)26-23(22(27)29)11-13-24-14-12-23/h3-10,17,24,26H,11-15H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyPWJMKBQZHGJBOE-KRWDZBQOSA-N
MW392.50 g/mol
LogP2.75
Rot. Bonds4

About N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide

N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide (PubChem CID 96575818) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
PubChem CID96575818
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1
InChIInChI=1S/C23H28N4O2/c1-16-7-9-18(10-8-16)17(2)25-21(28)15-27-20-6-4-3-5-19(20)26-23(22(27)29)11-13-24-14-12-23/h3-10,17,24,26H,11-15H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyPWJMKBQZHGJBOE-KRWDZBQOSA-N
XLogP2.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide (CID 96575818) is N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide is Cc1ccc([C@H](C)NC(=O)CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide?
The InChIKey is PWJMKBQZHGJBOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-7-9-18(10-8-16)17(2)25-21(28)15-27-20-6-4-3-5-19(20)26-23(22(27)29)11-13-24-14-12-23/h3-10,17,24,26H,11-15H2,1-2H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide?
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide is sourced from PubChem (CID 96575818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).