1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C19H20N4OS — CID 90610057

IUPAC1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H20N4OS/c24-18(21-12-14-7-9-20-10-8-14)15-4-3-11-23(13-15)19-22-16-5-1-2-6-17(16)25-19/h1-2,5-10,15H,3-4,11-13H2,(H,21,24)
InChIKeyREXRBAFZIYGLDR-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.22
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 90610057) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID90610057
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H20N4OS/c24-18(21-12-14-7-9-20-10-8-14)15-4-3-11-23(13-15)19-22-16-5-1-2-6-17(16)25-19/h1-2,5-10,15H,3-4,11-13H2,(H,21,24)
InChIKeyREXRBAFZIYGLDR-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 90610057) is 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)C1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is REXRBAFZIYGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(21-12-14-7-9-20-10-8-14)15-4-3-11-23(13-15)19-22-16-5-1-2-6-17(16)25-19/h1-2,5-10,15H,3-4,11-13H2,(H,21,24).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 90610057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).