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

C21H27N3O3S — CID 24645342

IUPAC1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2nc(C)cs2)C1c1ccccc1OC
InChIInChI=1S/C21H27N3O3S/c1-4-5-12-24-18(25)11-10-16(20(26)23-21-22-14(2)13-28-21)19(24)15-8-6-7-9-17(15)27-3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,22,23,26)
InChIKeyFRUVGIZGOCPNOL-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.18
Rot. Bonds7

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

1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 24645342) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID24645342
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)Nc2nc(C)cs2)C1c1ccccc1OC
InChIInChI=1S/C21H27N3O3S/c1-4-5-12-24-18(25)11-10-16(20(26)23-21-22-14(2)13-28-21)19(24)15-8-6-7-9-17(15)27-3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,22,23,26)
InChIKeyFRUVGIZGOCPNOL-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 24645342) is 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)Nc2nc(C)cs2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is FRUVGIZGOCPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-5-12-24-18(25)11-10-16(20(26)23-21-22-14(2)13-28-21)19(24)15-8-6-7-9-17(15)27-3/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,22,23,26).
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24645342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).