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

C18H24N4O2S — CID 43934906

IUPACN-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C18H24N4O2S/c23-18(19-14-6-1-2-7-14)13-5-3-9-22(11-13)12-16-20-17(21-24-16)15-8-4-10-25-15/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,19,23)
InChIKeyVHUHRRZSNFZAOE-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.07
Rot. Bonds5

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

N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43934906) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43934906
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1
InChIInChI=1S/C18H24N4O2S/c23-18(19-14-6-1-2-7-14)13-5-3-9-22(11-13)12-16-20-17(21-24-16)15-8-4-10-25-15/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,19,23)
InChIKeyVHUHRRZSNFZAOE-UHFFFAOYSA-N
XLogP3.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43934906) is N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(Cc2nc(-c3cccs3)no2)C1.
What is the InChIKey of N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VHUHRRZSNFZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18(19-14-6-1-2-7-14)13-5-3-9-22(11-13)12-16-20-17(21-24-16)15-8-4-10-25-15/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,19,23).
What are the key properties of N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43934906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).