3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

C16H20N4O2S — CID 86265895

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O2S/c21-16(18-14-4-2-8-23-14)20-7-1-3-11(10-20)9-13-17-15(19-22-13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,21)
InChIKeySPXTXFGEPBBYJO-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.50
Rot. Bonds4

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 86265895) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID86265895
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCCC(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O2S/c21-16(18-14-4-2-8-23-14)20-7-1-3-11(10-20)9-13-17-15(19-22-13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,21)
InChIKeySPXTXFGEPBBYJO-UHFFFAOYSA-N
XLogP3.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 91918927
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
N-(4-butoxyphenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 86265899
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 86265873
(4-bromothiophen-2-yl)-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992933
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90641503
(E)-1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 86265827

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide (CID 86265895) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is O=C(Nc1cccs1)N1CCCC(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is SPXTXFGEPBBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(18-14-4-2-8-23-14)20-7-1-3-11(10-20)9-13-17-15(19-22-13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,21).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 86265895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).