[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C19H18FN3O2S — CID 70766484

IUPAC[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-13-3-5-14(6-4-13)25-15-7-9-23(10-8-15)19(24)16-12-21-22-18(16)17-2-1-11-26-17/h1-6,11-12,15H,7-10H2,(H,21,22)
InChIKeySKGASWLVBRKBSW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.96
Rot. Bonds4

About [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 70766484) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID70766484
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-13-3-5-14(6-4-13)25-15-7-9-23(10-8-15)19(24)16-12-21-22-18(16)17-2-1-11-26-17/h1-6,11-12,15H,7-10H2,(H,21,22)
InChIKeySKGASWLVBRKBSW-UHFFFAOYSA-N
XLogP3.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 70766484) is [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is SKGASWLVBRKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-13-3-5-14(6-4-13)25-15-7-9-23(10-8-15)19(24)16-12-21-22-18(16)17-2-1-11-26-17/h1-6,11-12,15H,7-10H2,(H,21,22).
What are the key properties of [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70766484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).