(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone

C15H17N3O2 — CID 119070239

IUPAC(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccn[nH]2)c1)N1CCC(O)CC1
InChIInChI=1S/C15H17N3O2/c19-13-5-8-18(9-6-13)15(20)12-3-1-2-11(10-12)14-4-7-16-17-14/h1-4,7,10,13,19H,5-6,8-9H2,(H,16,17)
InChIKeyNUVBALWGHONEFI-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.67
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 119070239) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID119070239
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccn[nH]2)c1)N1CCC(O)CC1
InChIInChI=1S/C15H17N3O2/c19-13-5-8-18(9-6-13)15(20)12-3-1-2-11(10-12)14-4-7-16-17-14/h1-4,7,10,13,19H,5-6,8-9H2,(H,16,17)
InChIKeyNUVBALWGHONEFI-UHFFFAOYSA-N
XLogP1.67
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-6-yl]methanone
CID 135499800
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
6-chloro-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144570
6-bromo-7-methyl-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69071495
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 166274928
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95124482

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone (CID 119070239) is (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1cccc(-c2ccn[nH]2)c1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is NUVBALWGHONEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-5-8-18(9-6-13)15(20)12-3-1-2-11(10-12)14-4-7-16-17-14/h1-4,7,10,13,19H,5-6,8-9H2,(H,16,17).
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 119070239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).