[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

C19H21FN2O3S — CID 38491040

IUPAC[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-15-1-2-16-14(11-15)12-17(26-16)19(24)21-5-3-13(4-6-21)18(23)22-7-9-25-10-8-22/h1-2,11-13H,3-10H2
InChIKeyQPFQRYXPGJQECF-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.75
Rot. Bonds2

About [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 38491040) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID38491040
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2s1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-15-1-2-16-14(11-15)12-17(26-16)19(24)21-5-3-13(4-6-21)18(23)22-7-9-25-10-8-22/h1-2,11-13H,3-10H2
InChIKeyQPFQRYXPGJQECF-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119518600
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 119636905
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 126796352
1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78986209
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
(5-fluoro-1-benzothiophen-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 31114232
[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 9490251
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 38491040) is [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc2cc(F)ccc2s1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is QPFQRYXPGJQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-15-1-2-16-14(11-15)12-17(26-16)19(24)21-5-3-13(4-6-21)18(23)22-7-9-25-10-8-22/h1-2,11-13H,3-10H2.
What are the key properties of [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 376.45 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38491040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).