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

C16H25N3O4 — CID 56740716

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(CO)CC1
InChIInChI=1S/C16H25N3O4/c20-11-12-1-7-19(8-2-12)16(22)15-9-14(23-17-15)10-18-5-3-13(21)4-6-18/h9,12-13,20-21H,1-8,10-11H2
InChIKeyRYSAHZWGTKGTCJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.48
Rot. Bonds4

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

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 56740716) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID56740716
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(CO)CC1
InChIInChI=1S/C16H25N3O4/c20-11-12-1-7-19(8-2-12)16(22)15-9-14(23-17-15)10-18-5-3-13(21)4-6-18/h9,12-13,20-21H,1-8,10-11H2
InChIKeyRYSAHZWGTKGTCJ-UHFFFAOYSA-N
XLogP0.48
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 56706818
[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]-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
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
CID 95199241
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone (CID 56740716) is [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone is O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is RYSAHZWGTKGTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-11-12-1-7-19(8-2-12)16(22)15-9-14(23-17-15)10-18-5-3-13(21)4-6-18/h9,12-13,20-21H,1-8,10-11H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 323.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 56740716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).