methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate

C18H17FN2O4S — CID 162809052

IUPACmethyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cccs1
InChIInChI=1S/C18H17FN2O4S/c1-25-18(24)14-11-20(16(22)12-4-2-5-13(19)10-12)7-8-21(14)17(23)15-6-3-9-26-15/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1
InChIKeyOJLQEHFZVYHVMI-CQSZACIVSA-N
MW376.41 g/mol
LogP2.03
Rot. Bonds3

About methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate

methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate (PubChem CID 162809052) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
PubChem CID162809052
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Namemethyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cccs1
InChIInChI=1S/C18H17FN2O4S/c1-25-18(24)14-11-20(16(22)12-4-2-5-13(19)10-12)7-8-21(14)17(23)15-6-3-9-26-15/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1
InChIKeyOJLQEHFZVYHVMI-CQSZACIVSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
CID 78454898
(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 163171368
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 7165018
methyl (2R)-2-[[(2R)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate
CID 163074423
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
methyl (2R)-2-[[(2S)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 162804532
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxylic acid
CID 97173860
methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate (CID 162809052) is methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cccs1.
What is the InChIKey of methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate?
The InChIKey is OJLQEHFZVYHVMI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-25-18(24)14-11-20(16(22)12-4-2-5-13(19)10-12)7-8-21(14)17(23)15-6-3-9-26-15/h2-6,9-10,14H,7-8,11H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate?
methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 162809052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).