5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide

C17H21FN2OS — CID 119824471

IUPAC5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc2cc(F)ccc2s1)C1CCNCC1
InChIInChI=1S/C17H21FN2OS/c1-2-9-20(14-5-7-19-8-6-14)17(21)16-11-12-10-13(18)3-4-15(12)22-16/h3-4,10-11,14,19H,2,5-9H2,1H3
InChIKeyNETHATOJXIBCCY-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.64
Rot. Bonds4

About 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide

5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide (PubChem CID 119824471) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
PubChem CID119824471
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc2cc(F)ccc2s1)C1CCNCC1
InChIInChI=1S/C17H21FN2OS/c1-2-9-20(14-5-7-19-8-6-14)17(21)16-11-12-10-13(18)3-4-15(12)22-16/h3-4,10-11,14,19H,2,5-9H2,1H3
InChIKeyNETHATOJXIBCCY-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
N-piperidin-4-yl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266924
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119203139
4-bromo-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119823220
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119529790
1-(4-fluorophenyl)-3-methyl-N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119529789
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63300923
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide (CID 119824471) is 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide is CCCN(C(=O)c1cc2cc(F)ccc2s1)C1CCNCC1.
What is the InChIKey of 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is NETHATOJXIBCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-2-9-20(14-5-7-19-8-6-14)17(21)16-11-12-10-13(18)3-4-15(12)22-16/h3-4,10-11,14,19H,2,5-9H2,1H3.
What are the key properties of 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide?
5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119824471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).