(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone

C18H23N3O3 — CID 97334827

IUPAC(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H23N3O3/c22-13-12-21-16(6-9-19-21)14-7-10-20(11-8-14)18(24)17(23)15-4-2-1-3-5-15/h1-6,9,14,17,22-23H,7-8,10-13H2/t17-/m1/s1
InChIKeyBOXKWMZHSPWBTI-QGZVFWFLSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds5

About (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone

(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 97334827) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID97334827
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H23N3O3/c22-13-12-21-16(6-9-19-21)14-7-10-20(11-8-14)18(24)17(23)15-4-2-1-3-5-15/h1-6,9,14,17,22-23H,7-8,10-13H2/t17-/m1/s1
InChIKeyBOXKWMZHSPWBTI-QGZVFWFLSA-N
XLogP1.32
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 136520567
N-(2-bromophenyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanamide
CID 86877003
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86877015
3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
CID 51104567
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone (CID 97334827) is (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone is O=C([C@H](O)c1ccccc1)N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is BOXKWMZHSPWBTI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-13-12-21-16(6-9-19-21)14-7-10-20(11-8-14)18(24)17(23)15-4-2-1-3-5-15/h1-6,9,14,17,22-23H,7-8,10-13H2/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 329.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 97334827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).