(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H22N4O4 — CID 126432958

IUPAC(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1ccncc1)N1CCC(C(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1
InChIInChI=1S/C18H22N4O4/c23-16(13-1-5-19-6-2-13)20-7-3-14(4-8-20)17(24)21-9-10-22-15(11-21)12-26-18(22)25/h1-2,5-6,14-15H,3-4,7-12H2/t15-/m0/s1
InChIKeyMHCKIJADGFOGPK-HNNXBMFYSA-N
MW358.40 g/mol
LogP0.60
Rot. Bonds2

About (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 126432958) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID126432958
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C(c1ccncc1)N1CCC(C(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1
InChIInChI=1S/C18H22N4O4/c23-16(13-1-5-19-6-2-13)20-7-3-14(4-8-20)17(24)21-9-10-22-15(11-21)12-26-18(22)25/h1-2,5-6,14-15H,3-4,7-12H2/t15-/m0/s1
InChIKeyMHCKIJADGFOGPK-HNNXBMFYSA-N
XLogP0.60
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
7-[3-(3-methylphenyl)benzoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131929939
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 162627603
(8aR)-7-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126441579
(8aS)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 131632861
7-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 123362592
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-pyridin-4-ylmethanone
CID 155998363
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 126432958) is (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C(c1ccncc1)N1CCC(C(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1.
What is the InChIKey of (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is MHCKIJADGFOGPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-16(13-1-5-19-6-2-13)20-7-3-14(4-8-20)17(24)21-9-10-22-15(11-21)12-26-18(22)25/h1-2,5-6,14-15H,3-4,7-12H2/t15-/m0/s1.
What are the key properties of (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 358.40 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 126432958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).