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

C20H21N3O2S — CID 24901590

IUPAC1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C20H21N3O2S/c21-19(24)15-9-11-23(12-10-15)13-14-5-7-16(8-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H2,21,24)
InChIKeyMPIXODNJTUZDGF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.79
Rot. Bonds5

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

1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 24901590) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID24901590
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C20H21N3O2S/c21-19(24)15-9-11-23(12-10-15)13-14-5-7-16(8-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H2,21,24)
InChIKeyMPIXODNJTUZDGF-UHFFFAOYSA-N
XLogP3.79
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide (CID 24901590) is 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MPIXODNJTUZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-19(24)15-9-11-23(12-10-15)13-14-5-7-16(8-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H2,21,24).
What are the key properties of 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide?
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24901590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).