1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C21H27N3O3S — CID 20974818

IUPAC1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC(C(=O)NCCc2csc(C)n2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-27-19-7-5-4-6-18(19)21(26)24-12-9-16(10-13-24)20(25)22-11-8-17-14-28-15(2)23-17/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,25)
InChIKeyZYYVYHRYHYVHFN-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.06
Rot. Bonds7

About 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 20974818) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID20974818
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC(C(=O)NCCc2csc(C)n2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-27-19-7-5-4-6-18(19)21(26)24-12-9-16(10-13-24)20(25)22-11-8-17-14-28-15(2)23-17/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,25)
InChIKeyZYYVYHRYHYVHFN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 20974818) is 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is CCOc1ccccc1C(=O)N1CCC(C(=O)NCCc2csc(C)n2)CC1.
What is the InChIKey of 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is ZYYVYHRYHYVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-27-19-7-5-4-6-18(19)21(26)24-12-9-16(10-13-24)20(25)22-11-8-17-14-28-15(2)23-17/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,25).
What are the key properties of 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).