[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C21H25N3O3 — CID 56705443

IUPAC[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-18-8-10-23(11-9-18)15-19-14-20(22-27-19)21(26)24-12-6-17(7-13-24)16-4-2-1-3-5-16/h1-6,14,18,25H,7-13,15H2
InChIKeyLPUUMOQQGDWPPC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.56
Rot. Bonds4

About [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 56705443) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID56705443
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-18-8-10-23(11-9-18)15-19-14-20(22-27-19)21(26)24-12-6-17(7-13-24)16-4-2-1-3-5-16/h1-6,14,18,25H,7-13,15H2
InChIKeyLPUUMOQQGDWPPC-UHFFFAOYSA-N
XLogP2.56
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 56705443) is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cc(CN2CCC(O)CC2)on1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LPUUMOQQGDWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-18-8-10-23(11-9-18)15-19-14-20(22-27-19)21(26)24-12-6-17(7-13-24)16-4-2-1-3-5-16/h1-6,14,18,25H,7-13,15H2.
What are the key properties of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 56705443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).