(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone

C9H13N3O2 — CID 62733729

IUPAC(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)9(14)8-4-10-6-11-8/h4,6-7,13H,1-3,5H2,(H,10,11)
InChIKeyTZXOZSKNAMWJSY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.01
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone

(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone (PubChem CID 62733729) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone
PubChem CID62733729
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)9(14)8-4-10-6-11-8/h4,6-7,13H,1-3,5H2,(H,10,11)
InChIKeyTZXOZSKNAMWJSY-UHFFFAOYSA-N
XLogP0.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone (CID 62733729) is (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone?
The InChIKey is TZXOZSKNAMWJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-2-1-3-12(5-7)9(14)8-4-10-6-11-8/h4,6-7,13H,1-3,5H2,(H,10,11).
What are the key properties of (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 62733729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).