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

C21H24FN3O2S — CID 25348569

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C21H24FN3O2S/c22-17-6-1-2-7-18(17)23-10-12-24(13-11-23)20(26)16-5-3-9-25(15-16)21(27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2/t16-/m1/s1
InChIKeyQINQGKHVRBLSQS-MRXNPFEDSA-N
MW401.51 g/mol
LogP3.09
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 25348569) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID25348569
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1
InChIInChI=1S/C21H24FN3O2S/c22-17-6-1-2-7-18(17)23-10-12-24(13-11-23)20(26)16-5-3-9-25(15-16)21(27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2/t16-/m1/s1
InChIKeyQINQGKHVRBLSQS-MRXNPFEDSA-N
XLogP3.09
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 46465219
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
4-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715816
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86941087
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 25348569) is [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is QINQGKHVRBLSQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c22-17-6-1-2-7-18(17)23-10-12-24(13-11-23)20(26)16-5-3-9-25(15-16)21(27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2/t16-/m1/s1.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 25348569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).