(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

C20H23N3O3S — CID 94132307

IUPAC(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1
InChIInChI=1S/C20H23N3O3S/c1-3-16(25)23-11-7-10-15(12-23)19(26)22-20-21-17(18(27-20)13(2)24)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,21,22,26)/t15-/m1/s1
InChIKeyUBQPUPPLBZKFQX-OAHLLOKOSA-N
MW385.49 g/mol
LogP3.60
Rot. Bonds5

About (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide

(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 94132307) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID94132307
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1
InChIInChI=1S/C20H23N3O3S/c1-3-16(25)23-11-7-10-15(12-23)19(26)22-20-21-17(18(27-20)13(2)24)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,21,22,26)/t15-/m1/s1
InChIKeyUBQPUPPLBZKFQX-OAHLLOKOSA-N
XLogP3.60
TPSA79.37 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826116
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 56792579
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827314
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide (CID 94132307) is (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1.
What is the InChIKey of (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is UBQPUPPLBZKFQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-16(25)23-11-7-10-15(12-23)19(26)22-20-21-17(18(27-20)13(2)24)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,21,22,26)/t15-/m1/s1.
What are the key properties of (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide?
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 94132307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).