4,4-dihydroxypiperidine-1-carboxamide

C6H12N2O3 — CID 23212164

IUPAC4,4-dihydroxypiperidine-1-carboxamide
SMILESNC(=O)N1CCC(O)(O)CC1
InChIInChI=1S/C6H12N2O3/c7-5(9)8-3-1-6(10,11)2-4-8/h10-11H,1-4H2,(H2,7,9)
InChIKeyOELPREQGCADTDQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.16
Rot. Bonds

About 4,4-dihydroxypiperidine-1-carboxamide

4,4-dihydroxypiperidine-1-carboxamide (PubChem CID 23212164) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4,4-dihydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-dihydroxypiperidine-1-carboxamide
PubChem CID23212164
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4,4-dihydroxypiperidine-1-carboxamide
SMILESNC(=O)N1CCC(O)(O)CC1
InChIInChI=1S/C6H12N2O3/c7-5(9)8-3-1-6(10,11)2-4-8/h10-11H,1-4H2,(H2,7,9)
InChIKeyOELPREQGCADTDQ-UHFFFAOYSA-N
XLogP-1.16
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxypiperidine-1-carboxamide?
The IUPAC name of 4,4-dihydroxypiperidine-1-carboxamide (CID 23212164) is 4,4-dihydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4,4-dihydroxypiperidine-1-carboxamide?
The canonical SMILES for 4,4-dihydroxypiperidine-1-carboxamide is NC(=O)N1CCC(O)(O)CC1.
What is the InChIKey of 4,4-dihydroxypiperidine-1-carboxamide?
The InChIKey is OELPREQGCADTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-5(9)8-3-1-6(10,11)2-4-8/h10-11H,1-4H2,(H2,7,9).
What are the key properties of 4,4-dihydroxypiperidine-1-carboxamide?
4,4-dihydroxypiperidine-1-carboxamide has a molecular weight of 160.17 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23212164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).