[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone

C24H27FN2O3 — CID 53391833

IUPAC[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)CC1
InChIInChI=1S/C24H27FN2O3/c25-20-8-6-17(7-9-20)23(29)18-10-13-26(14-11-18)21-12-15-27(16-22(21)28)24(30)19-4-2-1-3-5-19/h1-9,18,21-22,28H,10-16H2/t21-,22-/m0/s1
InChIKeyHZNXKDXDTGXESL-VXKWHMMOSA-N
MW410.49 g/mol
LogP3.00
Rot. Bonds4

About [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 53391833) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID53391833
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)CC1
InChIInChI=1S/C24H27FN2O3/c25-20-8-6-17(7-9-20)23(29)18-10-13-26(14-11-18)21-12-15-27(16-22(21)28)24(30)19-4-2-1-3-5-19/h1-9,18,21-22,28H,10-16H2/t21-,22-/m0/s1
InChIKeyHZNXKDXDTGXESL-VXKWHMMOSA-N
XLogP3.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 53391833) is [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)CC1.
What is the InChIKey of [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is HZNXKDXDTGXESL-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-8-6-17(7-9-20)23(29)18-10-13-26(14-11-18)21-12-15-27(16-22(21)28)24(30)19-4-2-1-3-5-19/h1-9,18,21-22,28H,10-16H2/t21-,22-/m0/s1.
What are the key properties of [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 410.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S,4S)-1-benzoyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 53391833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).