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

C22H26N4O3S — CID 20952022

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1OC
InChIInChI=1S/C22H26N4O3S/c1-28-18-6-5-15(14-19(18)29-2)7-11-23-20(27)16-8-12-26(13-9-16)22-25-17-4-3-10-24-21(17)30-22/h3-6,10,14,16H,7-9,11-13H2,1-2H3,(H,23,27)
InChIKeyIUBHUJYNUBGYNZ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.28
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952022) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952022
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1OC
InChIInChI=1S/C22H26N4O3S/c1-28-18-6-5-15(14-19(18)29-2)7-11-23-20(27)16-8-12-26(13-9-16)22-25-17-4-3-10-24-21(17)30-22/h3-6,10,14,16H,7-9,11-13H2,1-2H3,(H,23,27)
InChIKeyIUBHUJYNUBGYNZ-UHFFFAOYSA-N
XLogP3.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952022) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is IUBHUJYNUBGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-28-18-6-5-15(14-19(18)29-2)7-11-23-20(27)16-8-12-26(13-9-16)22-25-17-4-3-10-24-21(17)30-22/h3-6,10,14,16H,7-9,11-13H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).