[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C18H24N4O3 — CID 56713227

IUPAC[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2cccn2CCN1C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C18H24N4O3/c1-13-17-3-2-6-21(17)9-10-22(13)18(24)16-11-15(25-19-16)12-20-7-4-14(23)5-8-20/h2-3,6,11,13-14,23H,4-5,7-10,12H2,1H3
InChIKeyCNPXTOZKVRBUHV-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.65
Rot. Bonds3

About [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 56713227) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID56713227
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2cccn2CCN1C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C18H24N4O3/c1-13-17-3-2-6-21(17)9-10-22(13)18(24)16-11-15(25-19-16)12-20-7-4-14(23)5-8-20/h2-3,6,11,13-14,23H,4-5,7-10,12H2,1H3
InChIKeyCNPXTOZKVRBUHV-UHFFFAOYSA-N
XLogP1.65
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 56713227) is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CC1c2cccn2CCN1C(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is CNPXTOZKVRBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-17-3-2-6-21(17)9-10-22(13)18(24)16-11-15(25-19-16)12-20-7-4-14(23)5-8-20/h2-3,6,11,13-14,23H,4-5,7-10,12H2,1H3.
What are the key properties of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 56713227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).