N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C18H21N7O2 — CID 46994061

IUPACN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-25-12-19-17(22-25)21-18(26)24-10-8-14(9-11-24)16-20-15(23-27-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22,26)
InChIKeyJYVKPYUDHWAMPW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.76
Rot. Bonds4

About N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46994061) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46994061
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCCn1cnc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-25-12-19-17(22-25)21-18(26)24-10-8-14(9-11-24)16-20-15(23-27-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22,26)
InChIKeyJYVKPYUDHWAMPW-UHFFFAOYSA-N
XLogP2.76
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-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-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46987816
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42761024
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-(4-ethoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760936
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 46994061) is N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CCn1cnc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1.
What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JYVKPYUDHWAMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-25-12-19-17(22-25)21-18(26)24-10-8-14(9-11-24)16-20-15(23-27-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,22,26).
What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46994061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).