N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide

C19H26N4O3 — CID 97132124

IUPACN-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H26N4O3/c1-3-6-16(20-13(2)24)17(25)23-11-9-19(10-12-23)18(26)21-14-7-4-5-8-15(14)22-19/h4-5,7-8,16,22H,3,6,9-12H2,1-2H3,(H,20,24)(H,21,26)/t16-/m0/s1
InChIKeyAWZYLIFRPSWDCJ-INIZCTEOSA-N
MW358.44 g/mol
LogP1.72
Rot. Bonds4

About N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide

N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide (PubChem CID 97132124) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
PubChem CID97132124
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C19H26N4O3/c1-3-6-16(20-13(2)24)17(25)23-11-9-19(10-12-23)18(26)21-14-7-4-5-8-15(14)22-19/h4-5,7-8,16,22H,3,6,9-12H2,1-2H3,(H,20,24)(H,21,26)/t16-/m0/s1
InChIKeyAWZYLIFRPSWDCJ-INIZCTEOSA-N
XLogP1.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
1'-[(2S)-2-hydroxy-4-methylpentanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96575565
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97151123
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70754645
1'-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96571095
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580067
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774354

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide (CID 97132124) is N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide is CCC[C@H](NC(C)=O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide?
The InChIKey is AWZYLIFRPSWDCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-6-16(20-13(2)24)17(25)23-11-9-19(10-12-23)18(26)21-14-7-4-5-8-15(14)22-19/h4-5,7-8,16,22H,3,6,9-12H2,1-2H3,(H,20,24)(H,21,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide?
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide is sourced from PubChem (CID 97132124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).