[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C22H24FN3O3S — CID 38390032

IUPAC[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C22H24FN3O3S/c23-18-7-5-16(6-8-18)20(27)24-10-12-25(13-11-24)21(28)17-3-1-9-26(15-17)22(29)19-4-2-14-30-19/h2,4-8,14,17H,1,3,9-13,15H2/t17-/m1/s1
InChIKeyLZYHPIOSEGRGPJ-QGZVFWFLSA-N
MW429.52 g/mol
LogP2.72
Rot. Bonds3

About [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 38390032) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID38390032
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C22H24FN3O3S/c23-18-7-5-16(6-8-18)20(27)24-10-12-25(13-11-24)21(28)17-3-1-9-26(15-17)22(29)19-4-2-14-30-19/h2,4-8,14,17H,1,3,9-13,15H2/t17-/m1/s1
InChIKeyLZYHPIOSEGRGPJ-QGZVFWFLSA-N
XLogP2.72
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 46465219
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 38390032) is [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1.
What is the InChIKey of [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is LZYHPIOSEGRGPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c23-18-7-5-16(6-8-18)20(27)24-10-12-25(13-11-24)21(28)17-3-1-9-26(15-17)22(29)19-4-2-14-30-19/h2,4-8,14,17H,1,3,9-13,15H2/t17-/m1/s1.
What are the key properties of [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 38390032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).