4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

C26H33N5O4S — CID 53198716

IUPAC4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C26H33N5O4S/c1-6-30(7-2)26(33)19-15-27-25-22(16(3)29-36-25)23(19)31-12-10-17(11-13-31)24(32)28-20-14-18(34-4)8-9-21(20)35-5/h8-9,14-15,17H,6-7,10-13H2,1-5H3,(H,28,32)
InChIKeyJNROYYLSZPNCDS-UHFFFAOYSA-N
MW511.65 g/mol
LogP4.35
Rot. Bonds8

About 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 53198716) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
PubChem CID53198716
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC Name4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C26H33N5O4S/c1-6-30(7-2)26(33)19-15-27-25-22(16(3)29-36-25)23(19)31-12-10-17(11-13-31)24(32)28-20-14-18(34-4)8-9-21(20)35-5/h8-9,14-15,17H,6-7,10-13H2,1-5H3,(H,28,32)
InChIKeyJNROYYLSZPNCDS-UHFFFAOYSA-N
XLogP4.35
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198727
4-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198717
N,N-diethyl-3-methyl-4-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperidin-1-yl]-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
CID 53198719
N-(5-chloro-2-methoxyphenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848674
N-(4-methoxyphenyl)-1-[3-methyl-5-(4-methylpiperidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 53198609
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-[(4-methylphenyl)methyl]-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide
CID 50848835
1-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 43815637
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (CID 53198716) is 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is CCN(CC)C(=O)c1cnc2snc(C)c2c1N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JNROYYLSZPNCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-6-30(7-2)26(33)19-15-27-25-22(16(3)29-36-25)23(19)31-12-10-17(11-13-31)24(32)28-20-14-18(34-4)8-9-21(20)35-5/h8-9,14-15,17H,6-7,10-13H2,1-5H3,(H,28,32).
What are the key properties of 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N,N-diethyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 53198716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).