[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone

C18H18ClN3OS — CID 20877123

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2sccc21
InChIInChI=1S/C18H18ClN3OS/c1-20-15-6-11-24-17(15)12-16(20)18(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h2-6,11-12H,7-10H2,1H3
InChIKeyRAMMOYDPYGHJKE-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.86
Rot. Bonds2

About [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 20877123) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID20877123
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2sccc21
InChIInChI=1S/C18H18ClN3OS/c1-20-15-6-11-24-17(15)12-16(20)18(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h2-6,11-12H,7-10H2,1H3
InChIKeyRAMMOYDPYGHJKE-UHFFFAOYSA-N
XLogP3.86
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylthieno[3,2-b]pyrrol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3244734
(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 3225159
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754590
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one
CID 3244832
[4-(4-chlorophenyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 1247359
11-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-thia-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 71231687
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53068736
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107022223

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (CID 20877123) is [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone is Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2sccc21.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is RAMMOYDPYGHJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-20-15-6-11-24-17(15)12-16(20)18(23)22-9-7-21(8-10-22)14-4-2-13(19)3-5-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 359.88 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 20877123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).