[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C20H32N4O3 — CID 56706818

IUPAC[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H32N4O3/c25-17-6-10-22(11-7-17)15-18-14-19(21-27-18)20(26)24-12-4-16(5-13-24)23-8-2-1-3-9-23/h14,16-17,25H,1-13,15H2
InChIKeyOZHNZUMGOJSTFT-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.72
Rot. Bonds4

About [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56706818) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID56706818
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H32N4O3/c25-17-6-10-22(11-7-17)15-18-14-19(21-27-18)20(26)24-12-4-16(5-13-24)23-8-2-1-3-9-23/h14,16-17,25H,1-13,15H2
InChIKeyOZHNZUMGOJSTFT-UHFFFAOYSA-N
XLogP1.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 95220559
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 56705443
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
CID 95199241
[(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557314
[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56877882
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 79938637
[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 15675405

Frequently Asked Questions

What is the IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 56706818) is [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is OZHNZUMGOJSTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c25-17-6-10-22(11-7-17)15-18-14-19(21-27-18)20(26)24-12-4-16(5-13-24)23-8-2-1-3-9-23/h14,16-17,25H,1-13,15H2.
What are the key properties of [5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 376.50 g/mol, XLogP of 1.72, 4 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]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56706818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).