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

C13H15N3O2 — CID 43502692

IUPAC(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(O)C1
InChIInChI=1S/C13H15N3O2/c17-11-2-1-5-16(8-11)13(18)9-3-4-12-10(6-9)7-14-15-12/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,15)
InChIKeyQFIPJHDVMOOJPC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.16
Rot. Bonds1

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

(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone (PubChem CID 43502692) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
PubChem CID43502692
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCCC(O)C1
InChIInChI=1S/C13H15N3O2/c17-11-2-1-5-16(8-11)13(18)9-3-4-12-10(6-9)7-14-15-12/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,15)
InChIKeyQFIPJHDVMOOJPC-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.16
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-indazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone (CID 43502692) is (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone?
The InChIKey is QFIPJHDVMOOJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-2-1-5-16(8-11)13(18)9-3-4-12-10(6-9)7-14-15-12/h3-4,6-7,11,17H,1-2,5,8H2,(H,14,15).
What are the key properties of (3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.16, 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-indazol-5-yl)methanone is sourced from PubChem (CID 43502692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).