ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

C19H23N3O3S — CID 51653163

IUPACethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H23N3O3S/c1-2-25-19(24)22-10-6-9-15(12-22)17(23)20-11-16-13-26-18(21-16)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyIYMTXXCWQISILQ-OAHLLOKOSA-N
MW373.48 g/mol
LogP3.29
Rot. Bonds5

About ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 51653163) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID51653163
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nameethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H23N3O3S/c1-2-25-19(24)22-10-6-9-15(12-22)17(23)20-11-16-13-26-18(21-16)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyIYMTXXCWQISILQ-OAHLLOKOSA-N
XLogP3.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 72719820
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973454
3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24513884
ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
CID 97100234
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate (CID 51653163) is ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is IYMTXXCWQISILQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-25-19(24)22-10-6-9-15(12-22)17(23)20-11-16-13-26-18(21-16)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51653163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).