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

C17H18BrN3O3S — CID 55810706

IUPAC1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrN3O3S/c18-13-3-5-14(6-4-13)24-11-15(22)21-8-1-2-12(10-21)16(23)20-17-19-7-9-25-17/h3-7,9,12H,1-2,8,10-11H2,(H,19,20,23)
InChIKeyQGNBNDILHNWNEK-UHFFFAOYSA-N
MW424.32 g/mol
LogP3.16
Rot. Bonds5

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

1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55810706) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55810706
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC Name1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)COc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrN3O3S/c18-13-3-5-14(6-4-13)24-11-15(22)21-8-1-2-12(10-21)16(23)20-17-19-7-9-25-17/h3-7,9,12H,1-2,8,10-11H2,(H,19,20,23)
InChIKeyQGNBNDILHNWNEK-UHFFFAOYSA-N
XLogP3.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793928
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
(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-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97219682
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813442
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
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-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55810706) is 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)COc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QGNBNDILHNWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c18-13-3-5-14(6-4-13)24-11-15(22)21-8-1-2-12(10-21)16(23)20-17-19-7-9-25-17/h3-7,9,12H,1-2,8,10-11H2,(H,19,20,23).
What are the key properties of 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 424.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55810706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).