6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

C21H23N3O2S — CID 146641139

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C21H23N3O2S/c25-21-20-16(8-14-27-20)7-11-24(21)13-12-23-9-5-15(6-10-23)19-17-3-1-2-4-18(17)26-22-19/h1-4,8,14-15H,5-7,9-13H2
InChIKeyVEVAPZIIWSXUGC-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.77
Rot. Bonds4

About 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 146641139) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID146641139
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sccc2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C21H23N3O2S/c25-21-20-16(8-14-27-20)7-11-24(21)13-12-23-9-5-15(6-10-23)19-17-3-1-2-4-18(17)26-22-19/h1-4,8,14-15H,5-7,9-13H2
InChIKeyVEVAPZIIWSXUGC-UHFFFAOYSA-N
XLogP3.77
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 146641139) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is O=C1c2sccc2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is VEVAPZIIWSXUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-21-20-16(8-14-27-20)7-11-24(21)13-12-23-9-5-15(6-10-23)19-17-3-1-2-4-18(17)26-22-19/h1-4,8,14-15H,5-7,9-13H2.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 381.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 146641139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).