N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C22H23N5O2 — CID 45272510

IUPACN-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
InChIKeyVJCACPMAAVZCPB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.58
Rot. Bonds4

About N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45272510) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45272510
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
InChIKeyVJCACPMAAVZCPB-UHFFFAOYSA-N
XLogP3.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 1991339
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9968741
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10156141
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
CID 16748896
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 16748897
(3R)-6-cyclohexyl-3-{3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 16748898
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16748901
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16749000
N-(2-phenylcyclopropyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44232522
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270788

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45272510) is N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3cccnc3)no2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VJCACPMAAVZCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28).
What are the key properties of N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45272510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).