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

C18H21N3O2S — CID 56792579

IUPACN-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cc(-c3ccccc3)ns2)C1
InChIInChI=1S/C18H21N3O2S/c1-2-17(22)21-10-6-9-14(12-21)18(23)19-16-11-15(20-24-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,19,23)
InChIKeyOYUAZOSNPWVBIX-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.40
Rot. Bonds4

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

N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide (PubChem CID 56792579) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
PubChem CID56792579
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cc(-c3ccccc3)ns2)C1
InChIInChI=1S/C18H21N3O2S/c1-2-17(22)21-10-6-9-14(12-21)18(23)19-16-11-15(20-24-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,19,23)
InChIKeyOYUAZOSNPWVBIX-UHFFFAOYSA-N
XLogP3.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
N-(3-phenyl-1,2-thiazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 84594886
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide (CID 56792579) is N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2cc(-c3ccccc3)ns2)C1.
What is the InChIKey of N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
The InChIKey is OYUAZOSNPWVBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-17(22)21-10-6-9-14(12-21)18(23)19-16-11-15(20-24-16)13-7-4-3-5-8-13/h3-5,7-8,11,14H,2,6,9-10,12H2,1H3,(H,19,23).
What are the key properties of N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide?
N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2-thiazol-5-yl)-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 56792579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).