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

C21H22N6O2 — CID 45271610

IUPACN-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1
InChIInChI=1S/C21H22N6O2/c28-21(24-17-13-16(17)14-5-2-1-3-6-14)27-11-7-15(8-12-27)20-25-19(26-29-20)18-22-9-4-10-23-18/h1-6,9-10,15-17H,7-8,11-13H2,(H,24,28)
InChIKeyDIYUAKHOKKCOEE-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.97
Rot. Bonds4

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

N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 45271610) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID45271610
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1
InChIInChI=1S/C21H22N6O2/c28-21(24-17-13-16(17)14-5-2-1-3-6-14)27-11-7-15(8-12-27)20-25-19(26-29-20)18-22-9-4-10-23-18/h1-6,9-10,15-17H,7-8,11-13H2,(H,24,28)
InChIKeyDIYUAKHOKKCOEE-UHFFFAOYSA-N
XLogP2.97
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(2-phenylcyclopropyl)-4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272510
5-[4-[1-(5-Piperazin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68183009
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(phenylmethyl)-2-piperidineacetamide
CID 16115341
N-((1R,2S)-2-phenylcyclopropyl)-4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44235863
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidine-1-carboxamide
CID 44236321
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-1-carboxamide
CID 44236322
N-(2,3-dihydro-1H-inden-2-yl)-4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272465
N-(2-phenylcyclopropyl)-4-(3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272511
N-(2-phenylcyclopropyl)-4-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45273380

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 45271610) is N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ncccn3)no2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DIYUAKHOKKCOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-21(24-17-13-16(17)14-5-2-1-3-6-14)27-11-7-15(8-12-27)20-25-19(26-29-20)18-22-9-4-10-23-18/h1-6,9-10,15-17H,7-8,11-13H2,(H,24,28).
What are the key properties of N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45271610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).