[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone

C18H23N3O2 — CID 110895266

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1cnn(-c2ccc(C(=O)N3CCCCC3CCO)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-14-12-19-21(13-14)17-7-5-15(6-8-17)18(23)20-10-3-2-4-16(20)9-11-22/h5-8,12-13,16,22H,2-4,9-11H2,1H3
InChIKeyZQJUMQNZFRVMBZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 110895266) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
PubChem CID110895266
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
SMILESCc1cnn(-c2ccc(C(=O)N3CCCCC3CCO)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-14-12-19-21(13-14)17-7-5-15(6-8-17)18(23)20-10-3-2-4-16(20)9-11-22/h5-8,12-13,16,22H,2-4,9-11H2,1H3
InChIKeyZQJUMQNZFRVMBZ-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 99698437
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 124569323
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 71869708
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanone
CID 110024673
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone (CID 110895266) is [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone is Cc1cnn(-c2ccc(C(=O)N3CCCCC3CCO)cc2)c1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is ZQJUMQNZFRVMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-12-19-21(13-14)17-7-5-15(6-8-17)18(23)20-10-3-2-4-16(20)9-11-22/h5-8,12-13,16,22H,2-4,9-11H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 110895266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).