(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone

C19H19N3O2S — CID 126778716

IUPAC(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S/c23-19(17-12-20-21-18(17)14-8-11-25-13-14)22-9-6-16(7-10-22)24-15-4-2-1-3-5-15/h1-5,8,11-13,16H,6-7,9-10H2,(H,20,21)
InChIKeyKHIWJHKNFKUTSV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds4

About (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone

(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (PubChem CID 126778716) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
PubChem CID126778716
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccsc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S/c23-19(17-12-20-21-18(17)14-8-11-25-13-14)22-9-6-16(7-10-22)24-15-4-2-1-3-5-15/h1-5,8,11-13,16H,6-7,9-10H2,(H,20,21)
InChIKeyKHIWJHKNFKUTSV-UHFFFAOYSA-N
XLogP3.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-thiophen-3-yl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126785121
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126776018
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126773802
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 136565975
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
thiophen-2-yl-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246200
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980

Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone (CID 126778716) is (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1ccsc1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is KHIWJHKNFKUTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(17-12-20-21-18(17)14-8-11-25-13-14)22-9-6-16(7-10-22)24-15-4-2-1-3-5-15/h1-5,8,11-13,16H,6-7,9-10H2,(H,20,21).
What are the key properties of (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone?
(4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 353.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126778716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).