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

C22H22N4O3S — CID 86889090

IUPACN-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)s1)C1CC1
InChIInChI=1S/C22H22N4O3S/c27-20(15-6-7-15)23-18-9-8-17(30-18)22(28)26-12-10-16(11-13-26)21-24-19(25-29-21)14-4-2-1-3-5-14/h1-5,8-9,15-16H,6-7,10-13H2,(H,23,27)
InChIKeyVSFZZDLNDNSEJH-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.17
Rot. Bonds5

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

N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 86889090) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID86889090
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)s1)C1CC1
InChIInChI=1S/C22H22N4O3S/c27-20(15-6-7-15)23-18-9-8-17(30-18)22(28)26-12-10-16(11-13-26)21-24-19(25-29-21)14-4-2-1-3-5-14/h1-5,8-9,15-16H,6-7,10-13H2,(H,23,27)
InChIKeyVSFZZDLNDNSEJH-UHFFFAOYSA-N
XLogP4.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53130406
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46987816
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
(3-methylthiophen-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946382
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 50925893

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 86889090) is N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)s1)C1CC1.
What is the InChIKey of N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is VSFZZDLNDNSEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-20(15-6-7-15)23-18-9-8-17(30-18)22(28)26-12-10-16(11-13-26)21-24-19(25-29-21)14-4-2-1-3-5-14/h1-5,8-9,15-16H,6-7,10-13H2,(H,23,27).
What are the key properties of N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86889090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).