ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate

C19H23N3O3S — CID 110355797

IUPACethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(-c3nc(C)cs3)c2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-19(24)22-9-7-16(8-10-22)21-17(23)14-5-4-6-15(11-14)18-20-13(2)12-26-18/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,21,23)
InChIKeyGXRLADYPJMNICB-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.47
Rot. Bonds4

About ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 110355797) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID110355797
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(-c3nc(C)cs3)c2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-19(24)22-9-7-16(8-10-22)21-17(23)14-5-4-6-15(11-14)18-20-13(2)12-26-18/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,21,23)
InChIKeyGXRLADYPJMNICB-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18120666
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ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
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ethyl 4-[[3-(2-cyano-3-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
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ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate (CID 110355797) is ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(-c3nc(C)cs3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is GXRLADYPJMNICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-25-19(24)22-9-7-16(8-10-22)21-17(23)14-5-4-6-15(11-14)18-20-13(2)12-26-18/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110355797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).