N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C20H20N4O3S — CID 20952027

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H20N4O3S/c25-18(22-11-13-3-4-16-17(10-13)27-12-26-16)14-5-8-24(9-6-14)20-23-15-2-1-7-21-19(15)28-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,22,25)
InChIKeyVIHIVJPFGMHBGG-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.95
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952027) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952027
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H20N4O3S/c25-18(22-11-13-3-4-16-17(10-13)27-12-26-16)14-5-8-24(9-6-14)20-23-15-2-1-7-21-19(15)28-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,22,25)
InChIKeyVIHIVJPFGMHBGG-UHFFFAOYSA-N
XLogP2.95
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952027) is N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is VIHIVJPFGMHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-18(22-11-13-3-4-16-17(10-13)27-12-26-16)14-5-8-24(9-6-14)20-23-15-2-1-7-21-19(15)28-20/h1-4,7,10,14H,5-6,8-9,11-12H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).