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

C19H21N3O2S — CID 3225224

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3sccc3n2C)CC1
InChIInChI=1S/C19H21N3O2S/c1-20-15-7-12-25-18(15)13-16(20)19(23)22-10-8-21(9-11-22)14-5-3-4-6-17(14)24-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNRILKBPAFGRYMK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.21
Rot. Bonds3

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 3225224) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID3225224
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3sccc3n2C)CC1
InChIInChI=1S/C19H21N3O2S/c1-20-15-7-12-25-18(15)13-16(20)19(23)22-10-8-21(9-11-22)14-5-3-4-6-17(14)24-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyNRILKBPAFGRYMK-UHFFFAOYSA-N
XLogP3.21
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-~{n}-[2-[[4-(1-Methylpiperidin-4-Yl)oxyphenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5-Carboxamide
CID 118913699
Methyl trans-4-(4-(2-(ethyl(3-methoxyphenyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxylate (26)
CID 124155062
10-[(4-Methoxyphenyl)methyl]-4,7-dimethyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16670244
[4-(Furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone
CID 5308796
4-methyl-N-[2-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methoxy]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913656
4-methyl-N-[2-[(4-piperidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913660
4-methyl-N-[2-[(4-piperidin-4-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913664
4-methyl-N-[3-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913669
4-methyl-N-[3-[(4-piperidin-4-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913682
4-methyl-N-[2-[[4-(piperidin-4-ylmethoxy)phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913688
4-methyl-N-[2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 118913747
N-[2-[[4-(1-ethylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 118913765

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone (CID 3225224) is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc3sccc3n2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is NRILKBPAFGRYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-20-15-7-12-25-18(15)13-16(20)19(23)22-10-8-21(9-11-22)14-5-3-4-6-17(14)24-2/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 3225224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).