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

C20H22N4O2S — CID 20952025

IUPACN-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-4-14(5-7-16)13-22-18(25)15-8-11-24(12-9-15)20-23-17-3-2-10-21-19(17)27-20/h2-7,10,15H,8-9,11-13H2,1H3,(H,22,25)
InChIKeyXFEMYPUAYQVKSG-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.23
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952025) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952025
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-4-14(5-7-16)13-22-18(25)15-8-11-24(12-9-15)20-23-17-3-2-10-21-19(17)27-20/h2-7,10,15H,8-9,11-13H2,1H3,(H,22,25)
InChIKeyXFEMYPUAYQVKSG-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952025) is N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is XFEMYPUAYQVKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-16-6-4-14(5-7-16)13-22-18(25)15-8-11-24(12-9-15)20-23-17-3-2-10-21-19(17)27-20/h2-7,10,15H,8-9,11-13H2,1H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).