1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C18H21N3O4S — CID 55811121

IUPAC1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCC(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1
InChIInChI=1S/C18H21N3O4S/c1-24-14-4-6-15(7-5-14)25-12-16(22)21-9-2-3-13(11-21)17(23)20-18-19-8-10-26-18/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20,23)
InChIKeyKUZZJUBUCNJGLC-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55811121) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55811121
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCC(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1
InChIInChI=1S/C18H21N3O4S/c1-24-14-4-6-15(7-5-14)25-12-16(22)21-9-2-3-13(11-21)17(23)20-18-19-8-10-26-18/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20,23)
InChIKeyKUZZJUBUCNJGLC-UHFFFAOYSA-N
XLogP2.41
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
(3R)-1-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95579738
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813442
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
(3R)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97219682
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
(3S)-1-(2-prop-2-enylsulfanylacetyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94800017
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
(3R)-1-N-(4-methoxybutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94657727
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55811121) is 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(OCC(=O)N2CCCC(C(=O)Nc3nccs3)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KUZZJUBUCNJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-24-14-4-6-15(7-5-14)25-12-16(22)21-9-2-3-13(11-21)17(23)20-18-19-8-10-26-18/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,19,20,23).
What are the key properties of 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55811121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).