N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide

C17H28N4O4 — CID 22957226

IUPACN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCNCC1)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C17H28N4O4/c1-3-13(19-14(22)12-4-6-18-7-5-12)15(23)20-8-9-21-16(24)25-11-17(21,2)10-20/h12-13,18H,3-11H2,1-2H3,(H,19,22)
InChIKeyCBWVREBVVLZBKD-UHFFFAOYSA-N
MW352.44 g/mol
LogP-0.07
Rot. Bonds4

About N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide

N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide (PubChem CID 22957226) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
PubChem CID22957226
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCNCC1)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C17H28N4O4/c1-3-13(19-14(22)12-4-6-18-7-5-12)15(23)20-8-9-21-16(24)25-11-17(21,2)10-20/h12-13,18H,3-11H2,1-2H3,(H,19,22)
InChIKeyCBWVREBVVLZBKD-UHFFFAOYSA-N
XLogP-0.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
N-[1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 22957198
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 59959651
N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 59959652
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 59959654
2-[4-(3-Methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid
CID 67653741
Methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
CID 67654113
Methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoate
CID 67654148
tert-butyl 5-oxospiro[6,7,8,8a-tetrahydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-carboxylate
CID 70039305
1-O-butyl 2-O-methyl 4-(piperidine-4-carbonyl)piperazine-1,2-dicarboxylate
CID 154943098
ethane;2-methylpropyl (3S)-3-(methoxymethyl)-4-(piperidine-4-carbonyl)piperazine-1-carboxylate
CID 171073033
N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 22957196

Frequently Asked Questions

What is the IUPAC name of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide (CID 22957226) is N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide is CCC(NC(=O)C1CCNCC1)C(=O)N1CCN2C(=O)OCC2(C)C1.
What is the InChIKey of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide?
The InChIKey is CBWVREBVVLZBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-3-13(19-14(22)12-4-6-18-7-5-12)15(23)20-8-9-21-16(24)25-11-17(21,2)10-20/h12-13,18H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide?
N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22957226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).