1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide

C21H23N3O2S — CID 11291973

IUPAC1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)16-10-13-24(14-11-16)12-9-15-5-7-17(8-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-8,16H,9-14H2,(H2,22,25)
InChIKeyGASFBYAFWRDSPG-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide

1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 11291973) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID11291973
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)16-10-13-24(14-11-16)12-9-15-5-7-17(8-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-8,16H,9-14H2,(H2,22,25)
InChIKeyGASFBYAFWRDSPG-UHFFFAOYSA-N
XLogP3.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide (CID 11291973) is 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is GASFBYAFWRDSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c22-20(25)16-10-13-24(14-11-16)12-9-15-5-7-17(8-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-8,16H,9-14H2,(H2,22,25).
What are the key properties of 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide?
1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 11291973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).