[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C18H23N3O2 — CID 53150909

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOCCC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-12-9-14-7-10-21(11-8-14)18(22)17-13-16(19-20-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20)
InChIKeyBHEUWUFBLADENF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds5

About [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 53150909) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID53150909
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOCCC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-12-9-14-7-10-21(11-8-14)18(22)17-13-16(19-20-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20)
InChIKeyBHEUWUFBLADENF-UHFFFAOYSA-N
XLogP2.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 53150909) is [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is COCCC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is BHEUWUFBLADENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-12-9-14-7-10-21(11-8-14)18(22)17-13-16(19-20-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20).
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 53150909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).