(4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone

C23H27FN2O3S — CID 58556866

IUPAC(4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(O)C(N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1
InChIInChI=1S/C23H27FN2O3S/c1-15-2-7-21(30-15)23(29)26-13-10-20(27)19(14-26)25-11-8-17(9-12-25)22(28)16-3-5-18(24)6-4-16/h2-7,17,19-20,27H,8-14H2,1H3
InChIKeyCXTHZWJKAJLJOD-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.37
Rot. Bonds4

About (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (PubChem CID 58556866) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
PubChem CID58556866
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name(4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(O)C(N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1
InChIInChI=1S/C23H27FN2O3S/c1-15-2-7-21(30-15)23(29)26-13-10-20(27)19(14-26)25-11-8-17(9-12-25)22(28)16-3-5-18(24)6-4-16/h2-7,17,19-20,27H,8-14H2,1H3
InChIKeyCXTHZWJKAJLJOD-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-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone (CID 58556866) is (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is Cc1ccc(C(=O)N2CCC(O)C(N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1.
What is the InChIKey of (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is CXTHZWJKAJLJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-15-2-7-21(30-15)23(29)26-13-10-20(27)19(14-26)25-11-8-17(9-12-25)22(28)16-3-5-18(24)6-4-16/h2-7,17,19-20,27H,8-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[4-hydroxy-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[4-hydroxy-1-(5-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-(5-methylthiophene-2-carbonyl)piperidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 58556866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).