1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C23H24N4O3S — CID 46292734

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-21(24-14-19-2-1-13-31-19)16-9-11-27(12-10-16)23(29)18-7-3-15(4-8-18)20-25-22(30-26-20)17-5-6-17/h1-4,7-8,13,16-17H,5-6,9-12,14H2,(H,24,28)
InChIKeyYURODVSNEUUKJU-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46292734) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID46292734
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-21(24-14-19-2-1-13-31-19)16-9-11-27(12-10-16)23(29)18-7-3-15(4-8-18)20-25-22(30-26-20)17-5-6-17/h1-4,7-8,13,16-17H,5-6,9-12,14H2,(H,24,28)
InChIKeyYURODVSNEUUKJU-UHFFFAOYSA-N
XLogP3.84
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767410
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 118712627
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53030333
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
1-[4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42764789
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50767376
N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097329
N-[(4-methoxyphenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 46361301
N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801349
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
N-[[4-(dimethylamino)phenyl]methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767348
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 87051841

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 46292734) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YURODVSNEUUKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(24-14-19-2-1-13-31-19)16-9-11-27(12-10-16)23(29)18-7-3-15(4-8-18)20-25-22(30-26-20)17-5-6-17/h1-4,7-8,13,16-17H,5-6,9-12,14H2,(H,24,28).
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46292734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).