1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C22H29N3O3S — CID 24645150

IUPAC1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2nc(C)c(C)s2)C1c1ccccc1OC
InChIInChI=1S/C22H29N3O3S/c1-5-6-13-25-19(26)12-11-17(20(25)16-9-7-8-10-18(16)28-4)21(27)24-22-23-14(2)15(3)29-22/h7-10,17,20H,5-6,11-13H2,1-4H3,(H,23,24,27)
InChIKeyWCMHJRHVGJAWLB-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.49
Rot. Bonds7

About 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24645150) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24645150
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2nc(C)c(C)s2)C1c1ccccc1OC
InChIInChI=1S/C22H29N3O3S/c1-5-6-13-25-19(26)12-11-17(20(25)16-9-7-8-10-18(16)28-4)21(27)24-22-23-14(2)15(3)29-22/h7-10,17,20H,5-6,11-13H2,1-4H3,(H,23,24,27)
InChIKeyWCMHJRHVGJAWLB-UHFFFAOYSA-N
XLogP4.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 24645150) is 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)Nc2nc(C)c(C)s2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WCMHJRHVGJAWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-5-6-13-25-19(26)12-11-17(20(25)16-9-7-8-10-18(16)28-4)21(27)24-22-23-14(2)15(3)29-22/h7-10,17,20H,5-6,11-13H2,1-4H3,(H,23,24,27).
What are the key properties of 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24645150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).