6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide

C14H15FN2OS — CID 104982451

IUPAC6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN2OS/c15-10-4-3-9-6-13(19-12(9)7-10)14(18)17-11-2-1-5-16-8-11/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18)/t11-/m0/s1
InChIKeyQTCQLDPQCOKYGQ-NSHDSACASA-N
MW278.35 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 104982451) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID104982451
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN2OS/c15-10-4-3-9-6-13(19-12(9)7-10)14(18)17-11-2-1-5-16-8-11/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18)/t11-/m0/s1
InChIKeyQTCQLDPQCOKYGQ-NSHDSACASA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105185
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
N-(2-bromocyclohexyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 114312010
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 103860288
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide (CID 104982451) is 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide is O=C(N[C@H]1CCCNC1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is QTCQLDPQCOKYGQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-10-4-3-9-6-13(19-12(9)7-10)14(18)17-11-2-1-5-16-8-11/h3-4,6-7,11,16H,1-2,5,8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 104982451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).