(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone

C19H18ClFN2O2S — CID 71884163

IUPAC(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C19H18ClFN2O2S/c20-13-3-4-16(21)15(11-13)18(24)22-6-8-23(9-7-22)19(25)17-14(5-10-26-17)12-1-2-12/h3-5,10-12H,1-2,6-9H2
InChIKeySAIFFFQFDGPUDV-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.02
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 71884163) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID71884163
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C19H18ClFN2O2S/c20-13-3-4-16(21)15(11-13)18(24)22-6-8-23(9-7-22)19(25)17-14(5-10-26-17)12-1-2-12/h3-5,10-12H,1-2,6-9H2
InChIKeySAIFFFQFDGPUDV-UHFFFAOYSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 46478996
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148455
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone (CID 71884163) is (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2sccc2C2CC2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SAIFFFQFDGPUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S/c20-13-3-4-16(21)15(11-13)18(24)22-6-8-23(9-7-22)19(25)17-14(5-10-26-17)12-1-2-12/h3-5,10-12H,1-2,6-9H2.
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 392.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71884163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).