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

C19H20N4OS — CID 90609314

IUPAC1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N4OS/c24-18(21-13-15-5-3-4-10-20-15)14-8-11-23(12-9-14)19-22-16-6-1-2-7-17(16)25-19/h1-7,10,14H,8-9,11-13H2,(H,21,24)
InChIKeyPKAIJXRWBFZWHO-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.22
Rot. Bonds4

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

1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 90609314) 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-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID90609314
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H20N4OS/c24-18(21-13-15-5-3-4-10-20-15)14-8-11-23(12-9-14)19-22-16-6-1-2-7-17(16)25-19/h1-7,10,14H,8-9,11-13H2,(H,21,24)
InChIKeyPKAIJXRWBFZWHO-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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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 90609970
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
1-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 43815642
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609276
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 3222648
1-(1,3-benzothiazol-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]piperidine-4-carboxamide
CID 126770983
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
1-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90610057
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 90609314) is 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PKAIJXRWBFZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(21-13-15-5-3-4-10-20-15)14-8-11-23(12-9-14)19-22-16-6-1-2-7-17(16)25-19/h1-7,10,14H,8-9,11-13H2,(H,21,24).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-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-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 90609314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).