1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C21H23N3OS — CID 3224281

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H23N3OS/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)
InChIKeyWLOZGYDOZLNMQE-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.87
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 3224281) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID3224281
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C21H23N3OS/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)
InChIKeyWLOZGYDOZLNMQE-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 3224281) is 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is WLOZGYDOZLNMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3224281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).