2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

C22H27FN4O2S — CID 55842799

IUPAC2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C22H27FN4O2S/c1-16(22(29)24-19-4-2-3-18(23)13-19)26-10-8-25(9-11-26)15-21(28)27-7-5-20-17(14-27)6-12-30-20/h2-4,6,12-13,16H,5,7-11,14-15H2,1H3,(H,24,29)
InChIKeyYSEHIPAJFKEGKS-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 55842799) has the molecular formula C22H27FN4O2S and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID55842799
Molecular FormulaC22H27FN4O2S
Molecular Weight430.55 g/mol
Exact Mass430.18
IUPAC Name2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C22H27FN4O2S/c1-16(22(29)24-19-4-2-3-18(23)13-19)26-10-8-25(9-11-26)15-21(28)27-7-5-20-17(14-27)6-12-30-20/h2-4,6,12-13,16H,5,7-11,14-15H2,1H3,(H,24,29)
InChIKeyYSEHIPAJFKEGKS-UHFFFAOYSA-N
XLogP2.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide with MolForge

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Related Compounds

(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513111
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60513034
N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (CID 55842799) is 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is YSEHIPAJFKEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2S/c1-16(22(29)24-19-4-2-3-18(23)13-19)26-10-8-25(9-11-26)15-21(28)27-7-5-20-17(14-27)6-12-30-20/h2-4,6,12-13,16H,5,7-11,14-15H2,1H3,(H,24,29).
What are the key properties of 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 55842799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).