(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone

C22H25FN2O3S — CID 58556831

IUPAC(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C2CN(C(=O)c3cccs3)CCC2O)CC1
InChIInChI=1S/C22H25FN2O3S/c23-17-5-3-15(4-6-17)21(27)16-7-10-24(11-8-16)18-14-25(12-9-19(18)26)22(28)20-2-1-13-29-20/h1-6,13,16,18-19,26H,7-12,14H2
InChIKeyCHRQSCDIUCAFHP-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.06
Rot. Bonds4

About (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (PubChem CID 58556831) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
PubChem CID58556831
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C2CN(C(=O)c3cccs3)CCC2O)CC1
InChIInChI=1S/C22H25FN2O3S/c23-17-5-3-15(4-6-17)21(27)16-7-10-24(11-8-16)18-14-25(12-9-19(18)26)22(28)20-2-1-13-29-20/h1-6,13,16,18-19,26H,7-12,14H2
InChIKeyCHRQSCDIUCAFHP-UHFFFAOYSA-N
XLogP3.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-YL)ethyl]-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
CID 2910300
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269951
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70686209
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696608
5-(2-Fluorophenyl)-3-hydroxy-1-(2-(4-morpholinyl)ethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908455
1-(4-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)-1-piperazinyl]methyl}-2-thienyl)ethanone
CID 16189911
(4-fluorophenyl)-[1-[(3R,4R)-4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone;oxalic acid
CID 70681945
(4-fluorophenyl)-[1-[(3R,4R)-3-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone;oxalic acid
CID 70694569
(4-fluorophenyl)-[1-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone;oxalic acid
CID 70696615

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (CID 58556831) is (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C2CN(C(=O)c3cccs3)CCC2O)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is CHRQSCDIUCAFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-17-5-3-15(4-6-17)21(27)16-7-10-24(11-8-16)18-14-25(12-9-19(18)26)22(28)20-2-1-13-29-20/h1-6,13,16,18-19,26H,7-12,14H2.
What are the key properties of (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone has a molecular weight of 416.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[4-hydroxy-1-(thiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 58556831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).