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

C23H27FN2O3S — CID 58556861

IUPAC(4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC(O)C(N2CCC(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H27FN2O3S/c1-15-9-13-30-22(15)23(29)26-12-8-20(27)19(14-26)25-10-6-17(7-11-25)21(28)16-2-4-18(24)5-3-16/h2-5,9,13,17,19-20,27H,6-8,10-12,14H2,1H3
InChIKeyVUCRRYLATHVUNK-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.37
Rot. Bonds4

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

(4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (PubChem CID 58556861) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
PubChem CID58556861
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name(4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC(O)C(N2CCC(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H27FN2O3S/c1-15-9-13-30-22(15)23(29)26-12-8-20(27)19(14-26)25-10-6-17(7-11-25)21(28)16-2-4-18(24)5-3-16/h2-5,9,13,17,19-20,27H,6-8,10-12,14H2,1H3
InChIKeyVUCRRYLATHVUNK-UHFFFAOYSA-N
XLogP3.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (CID 58556861) is (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is Cc1ccsc1C(=O)N1CCC(O)C(N2CCC(C(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is VUCRRYLATHVUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-15-9-13-30-22(15)23(29)26-12-8-20(27)19(14-26)25-10-6-17(7-11-25)21(28)16-2-4-18(24)5-3-16/h2-5,9,13,17,19-20,27H,6-8,10-12,14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[4-hydroxy-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 3.37, 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-(3-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 58556861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).