2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

C20H24FN2OS+ — CID 3460783

IUPAC2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESO=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCC2)c1ccccc1F
InChIInChI=1S/C20H23FN2OS/c21-17-9-3-2-7-15(17)19(24)22-20-16(13-23-11-4-1-5-12-23)14-8-6-10-18(14)25-20/h2-3,7,9H,1,4-6,8,10-13H2,(H,22,24)/p+1
InChIKeyOWRODAHKBXWDSW-UHFFFAOYSA-O
MW359.49 g/mol
LogP3.20
Rot. Bonds4

About 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (PubChem CID 3460783) has the molecular formula C20H24FN2OS+ and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
PubChem CID3460783
Molecular FormulaC20H24FN2OS+
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESO=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCC2)c1ccccc1F
InChIInChI=1S/C20H23FN2OS/c21-17-9-3-2-7-15(17)19(24)22-20-16(13-23-11-4-1-5-12-23)14-8-6-10-18(14)25-20/h2-3,7,9H,1,4-6,8,10-13H2,(H,22,24)/p+1
InChIKeyOWRODAHKBXWDSW-UHFFFAOYSA-O
XLogP3.20
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]-2-fluorobenzamide
CID 3462505
N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
CID 70985461
2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2063873
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
N-benzyl-2-[(2-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2276565
4-fluoro-N-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
CID 6958432
N-(2-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2276408
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 832523
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132
2-[(2,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4766689
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)naphthalene-1-carboxamide
CID 924830
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methylsulfanylbenzamide
CID 7565003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (CID 3460783) is 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is O=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The InChIKey is OWRODAHKBXWDSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN2OS/c21-17-9-3-2-7-15(17)19(24)22-20-16(13-23-11-4-1-5-12-23)14-8-6-10-18(14)25-20/h2-3,7,9H,1,4-6,8,10-13H2,(H,22,24)/p+1.
What are the key properties of 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide has a molecular weight of 359.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is sourced from PubChem (CID 3460783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).