[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone

C13H15N3O2 — CID 93084212

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC[C@H](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)/t11-/m0/s1
InChIKeyQFIPJHDVMOOJPC-NSHDSACASA-N
MW245.28 g/mol
LogP1.16
Rot. Bonds1

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

[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 93084212) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
PubChem CID93084212
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC[C@H](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)/t11-/m0/s1
InChIKeyQFIPJHDVMOOJPC-NSHDSACASA-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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Related Compounds

(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
CID 62916238
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(1H-indazole-5-carbonyl)piperidin-3-yl]methanone
CID 154840100
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 176799648
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone (CID 93084212) is [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
The InChIKey is QFIPJHDVMOOJPC-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone?
[(3S)-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 [(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 93084212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).