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

C16H19N3O2 — CID 110883852

IUPAC(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2/c20-15-3-1-9-18(12-15)16(21)14-6-4-13(5-7-14)11-19-10-2-8-17-19/h2,4-8,10,15,20H,1,3,9,11-12H2
InChIKeyJAUHMTRYAHITAT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.53
Rot. Bonds3

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

(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 110883852) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID110883852
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cccn2)cc1)N1CCCC(O)C1
InChIInChI=1S/C16H19N3O2/c20-15-3-1-9-18(12-15)16(21)14-6-4-13(5-7-14)11-19-10-2-8-17-19/h2,4-8,10,15,20H,1,3,9,11-12H2
InChIKeyJAUHMTRYAHITAT-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
N-[[(3R)-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51954491
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124695746
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (CID 110883852) is (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cccn2)cc1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is JAUHMTRYAHITAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-3-1-9-18(12-15)16(21)14-6-4-13(5-7-14)11-19-10-2-8-17-19/h2,4-8,10,15,20H,1,3,9,11-12H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 110883852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).