1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C20H23N3O3S — CID 55810868

IUPAC1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C20H23N3O3S/c1-14-5-7-17(26-2)15(12-14)6-8-18(24)23-10-3-4-16(13-23)19(25)22-20-21-9-11-27-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,21,22,25)/b8-6+
InChIKeyLOMUECDAZUSDLF-SOFGYWHQSA-N
MW385.49 g/mol
LogP3.35
Rot. Bonds5

About 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55810868) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55810868
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C20H23N3O3S/c1-14-5-7-17(26-2)15(12-14)6-8-18(24)23-10-3-4-16(13-23)19(25)22-20-21-9-11-27-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,21,22,25)/b8-6+
InChIKeyLOMUECDAZUSDLF-SOFGYWHQSA-N
XLogP3.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
1-[(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813504
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
1-(3-methoxy-4-propan-2-yloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813505
1-[2-(4-methylphenyl)-2-oxoacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51125247
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-[2-[(3-methylbenzoyl)amino]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959519
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55810868) is 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(C)cc1/C=C/C(=O)N1CCCC(C(=O)Nc2nccs2)C1.
What is the InChIKey of 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is LOMUECDAZUSDLF-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-5-7-17(26-2)15(12-14)6-8-18(24)23-10-3-4-16(13-23)19(25)22-20-21-9-11-27-20/h5-9,11-12,16H,3-4,10,13H2,1-2H3,(H,21,22,25)/b8-6+.
What are the key properties of 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55810868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).