N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C26H31N5O3S — CID 43928798

IUPACN-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C26H31N5O3S/c32-25(27-21-9-4-3-8-20(21)26(33)31-13-5-1-2-6-14-31)19-11-15-30(16-12-19)18-23-28-24(29-34-23)22-10-7-17-35-22/h3-4,7-10,17,19H,1-2,5-6,11-16,18H2,(H,27,32)
InChIKeyHFJAODOWVIUQCC-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 43928798) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID43928798
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C26H31N5O3S/c32-25(27-21-9-4-3-8-20(21)26(33)31-13-5-1-2-6-14-31)19-11-15-30(16-12-19)18-23-28-24(29-34-23)22-10-7-17-35-22/h3-4,7-10,17,19H,1-2,5-6,11-16,18H2,(H,27,32)
InChIKeyHFJAODOWVIUQCC-UHFFFAOYSA-N
XLogP4.66
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43928321
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-(5-bromo-2-pyridinyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 55816665
N-(3-bromophenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928635
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935041
(3-methylpiperidin-1-yl)-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 43928880
N-(3-methylsulfanylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928721
N-cyclohexyl-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928927
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928698
(2,3-dimethylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900756
N-[(3-methylphenyl)methyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928874

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 43928798) is N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HFJAODOWVIUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c32-25(27-21-9-4-3-8-20(21)26(33)31-13-5-1-2-6-14-31)19-11-15-30(16-12-19)18-23-28-24(29-34-23)22-10-7-17-35-22/h3-4,7-10,17,19H,1-2,5-6,11-16,18H2,(H,27,32).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43928798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).