1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C23H23N3O3S — CID 55960033

IUPAC1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C23H23N3O3S/c27-21(25-23-24-12-14-30-23)19-5-4-13-26(15-19)22(28)18-10-8-17(9-11-18)16-29-20-6-2-1-3-7-20/h1-3,6-12,14,19H,4-5,13,15-16H2,(H,24,25,27)
InChIKeyPCFKWSIICBSRFF-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.21
Rot. Bonds6

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

1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55960033) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55960033
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C23H23N3O3S/c27-21(25-23-24-12-14-30-23)19-5-4-13-26(15-19)22(28)18-10-8-17(9-11-18)16-29-20-6-2-1-3-7-20/h1-3,6-12,14,19H,4-5,13,15-16H2,(H,24,25,27)
InChIKeyPCFKWSIICBSRFF-UHFFFAOYSA-N
XLogP4.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813442
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185
1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55815547
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
(3S)-1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51961419
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
CID 9274909

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55960033) is 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1.
What is the InChIKey of 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is PCFKWSIICBSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-21(25-23-24-12-14-30-23)19-5-4-13-26(15-19)22(28)18-10-8-17(9-11-18)16-29-20-6-2-1-3-7-20/h1-3,6-12,14,19H,4-5,13,15-16H2,(H,24,25,27).
What are the key properties of 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55960033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).