(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone

C19H23N3OS — CID 53165457

IUPAC(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
InChIInChI=1S/C19H23N3OS/c1-20-9-5-6-15-14-17(24-19(15)20)18(23)22-12-10-21(11-13-22)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyWSMPDIKLHDDMPM-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.09
Rot. Bonds2

About (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone

(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53165457) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID53165457
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCCc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
InChIInChI=1S/C19H23N3OS/c1-20-9-5-6-15-14-17(24-19(15)20)18(23)22-12-10-21(11-13-22)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3
InChIKeyWSMPDIKLHDDMPM-UHFFFAOYSA-N
XLogP3.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylic acid
CID 53213896
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 4827191
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 9254299
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
[4-(2-methoxyphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 7494639
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
4,5-dihydrobenzo[g][1]benzothiol-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 34452106
(4-benzhydrylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 18283747

Frequently Asked Questions

What is the IUPAC name of (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 53165457) is (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone is CN1CCCc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21.
What is the InChIKey of (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WSMPDIKLHDDMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-20-9-5-6-15-14-17(24-19(15)20)18(23)22-12-10-21(11-13-22)16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3.
What are the key properties of (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53165457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).