[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

C23H22N2O2S — CID 25398083

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)23(26)21-14-17-15-27-20-8-3-2-7-19(20)22(17)28-21/h2-8,13-14H,9-12,15H2,1H3
InChIKeyDKKUDZOECHGVTE-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.58
Rot. Bonds2

About [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 25398083) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID25398083
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)23(26)21-14-17-15-27-20-8-3-2-7-19(20)22(17)28-21/h2-8,13-14H,9-12,15H2,1H3
InChIKeyDKKUDZOECHGVTE-UHFFFAOYSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877862
[4-(2-fluorophenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877714
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 17446228
3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259559
N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 17409323
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 55330129
[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-(9-methyl-4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877739
4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 34452106

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 25398083) is [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is DKKUDZOECHGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-5-4-6-18(13-16)24-9-11-25(12-10-24)23(26)21-14-17-15-27-20-8-3-2-7-19(20)22(17)28-21/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 25398083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).