methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate

C14H24N2O4 — CID 134069336

IUPACmethyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-20-14(19)9-13(18)15-7-4-11(5-8-15)16-6-2-3-12(17)10-16/h11-12,17H,2-10H2,1H3
InChIKeyLIIUPIDAJDOMOF-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.00
Rot. Bonds3

About methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate

methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate (PubChem CID 134069336) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate
PubChem CID134069336
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-20-14(19)9-13(18)15-7-4-11(5-8-15)16-6-2-3-12(17)10-16/h11-12,17H,2-10H2,1H3
InChIKeyLIIUPIDAJDOMOF-UHFFFAOYSA-N
XLogP-0.00
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 95896324
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
(5-fluoro-2-methoxyphenyl)-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 56909608
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
methyl 3-(3-carbamoylpiperidin-1-yl)-3-oxopropanoate
CID 134069304
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
(3S)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95552974
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446
N-[(2,3-dimethylphenyl)methyl]-4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carboxamide
CID 126424306
2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56911600

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate?
The IUPAC name of methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate (CID 134069336) is methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate?
The canonical SMILES for methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate is COC(=O)CC(=O)N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate?
The InChIKey is LIIUPIDAJDOMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-14(19)9-13(18)15-7-4-11(5-8-15)16-6-2-3-12(17)10-16/h11-12,17H,2-10H2,1H3.
What are the key properties of methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate?
methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate has a molecular weight of 284.36 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate is sourced from PubChem (CID 134069336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).