N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide

C20H23N3O2S — CID 90880019

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2cc(N3CCCCC3=O)sc2c1
InChIInChI=1S/C20H23N3O2S/c24-18-3-1-2-8-23(18)19-10-12-4-5-13(9-17(12)26-19)20(25)22-16-11-14-6-7-15(16)21-14/h4-5,9-10,14-16,21H,1-3,6-8,11H2,(H,22,25)/t14-,15+,16-/m1/s1
InChIKeyKEOBMBAUGUGQHZ-OWCLPIDISA-N
MW369.49 g/mol
LogP3.04
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide (PubChem CID 90880019) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide
PubChem CID90880019
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2cc(N3CCCCC3=O)sc2c1
InChIInChI=1S/C20H23N3O2S/c24-18-3-1-2-8-23(18)19-10-12-4-5-13(9-17(12)26-19)20(25)22-16-11-14-6-7-15(16)21-14/h4-5,9-10,14-16,21H,1-3,6-8,11H2,(H,22,25)/t14-,15+,16-/m1/s1
InChIKeyKEOBMBAUGUGQHZ-OWCLPIDISA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenyl-1-benzothiophene-6-carboxamide
CID 10266720
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-pyrrolidin-1-yl-1-benzofuran-5-carboxamide
CID 69362588
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-chloronaphthalene-2-carboxamide
CID 23598729
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(4-methyl-2-oxopiperazin-1-yl)-1-benzothiophene-5-carboxamide
CID 90874729
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(piperidine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 10451610
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2,1-benzothiazole-5-carboxamide
CID 91359908
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(3-oxothiomorpholin-4-yl)-1-benzothiophene-5-carboxamide
CID 90746856
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(aziridine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 11723831
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-piperidin-1-yl-1-benzofuran-5-carboxamide
CID 91253874
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide (CID 90880019) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2cc(N3CCCCC3=O)sc2c1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide?
The InChIKey is KEOBMBAUGUGQHZ-OWCLPIDISA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-18-3-1-2-8-23(18)19-10-12-4-5-13(9-17(12)26-19)20(25)22-16-11-14-6-7-15(16)21-14/h4-5,9-10,14-16,21H,1-3,6-8,11H2,(H,22,25)/t14-,15+,16-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(2-oxopiperidin-1-yl)-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 90880019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).