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

C17H28N4O4 — CID 59959651

IUPACN-[(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
SMILESCC[C@@H](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)/t13-,17?/m1/s1
InChIKeyCBWVREBVVLZBKD-FWJOYPJLSA-N
MW352.44 g/mol
LogP-0.07
Rot. Bonds4

About 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

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 (PubChem CID 59959651) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID59959651
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-[(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
SMILESCC[C@@H](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)/t13-,17?/m1/s1
InChIKeyCBWVREBVVLZBKD-FWJOYPJLSA-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-[(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H](NC(=O)C1CCNCC1)C(=O)N1CCN2C(=O)OCC2(C)C1.
What is the InChIKey of 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?
The InChIKey is CBWVREBVVLZBKD-FWJOYPJLSA-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)/t13-,17?/m1/s1.
What are the key properties of 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?
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 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-[(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 is sourced from PubChem (CID 59959651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).