1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione

C14H23NO5 — CID 123723021

IUPAC1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione
SMILESCC1CCCOC1(O)C(=O)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H23NO5/c1-10-4-3-7-20-14(10,19)12(17)13(18)15-6-2-5-11(8-15)9-16/h10-11,16,19H,2-9H2,1H3
InChIKeyAIGKSQLNZJCLJH-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.08
Rot. Bonds3

About 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione

1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione (PubChem CID 123723021) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione
PubChem CID123723021
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione
SMILESCC1CCCOC1(O)C(=O)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H23NO5/c1-10-4-3-7-20-14(10,19)12(17)13(18)15-6-2-5-11(8-15)9-16/h10-11,16,19H,2-9H2,1H3
InChIKeyAIGKSQLNZJCLJH-UHFFFAOYSA-N
XLogP-0.08
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
CID 143725740
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
(Z)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-(4-methylphenyl)prop-2-en-1-one
CID 110005888
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione (CID 123723021) is 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione is CC1CCCOC1(O)C(=O)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione?
The InChIKey is AIGKSQLNZJCLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10-4-3-7-20-14(10,19)12(17)13(18)15-6-2-5-11(8-15)9-16/h10-11,16,19H,2-9H2,1H3.
What are the key properties of 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione?
1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione has a molecular weight of 285.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 123723021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).