N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline

C27H28N4O — CID 58295833

IUPACN,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESc1ccc(CN(Cc2ccccc2)c2cccc(-c3noc(C4CCNCC4)n3)c2)cc1
InChIInChI=1S/C27H28N4O/c1-3-8-21(9-4-1)19-31(20-22-10-5-2-6-11-22)25-13-7-12-24(18-25)26-29-27(32-30-26)23-14-16-28-17-15-23/h1-13,18,23,28H,14-17,19-20H2
InChIKeyRPIDLGZHORAALA-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.41
Rot. Bonds7

About N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline

N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 58295833) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID58295833
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESc1ccc(CN(Cc2ccccc2)c2cccc(-c3noc(C4CCNCC4)n3)c2)cc1
InChIInChI=1S/C27H28N4O/c1-3-8-21(9-4-1)19-31(20-22-10-5-2-6-11-22)25-13-7-12-24(18-25)26-29-27(32-30-26)23-14-16-28-17-15-23/h1-13,18,23,28H,14-17,19-20H2
InChIKeyRPIDLGZHORAALA-UHFFFAOYSA-N
XLogP5.41
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline 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-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 91800660
2-ethyl-N-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
CID 68873961
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
CID 649642
N-(2-methylphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 665846
N-(2,3-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1253328
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 1869495
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3225915
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 3238119
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3239449
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242385
1-{3-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-1,2,3,4-tetrahydroquinoline
CID 3243627
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 15989736

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline (CID 58295833) is N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline is c1ccc(CN(Cc2ccccc2)c2cccc(-c3noc(C4CCNCC4)n3)c2)cc1.
What is the InChIKey of N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is RPIDLGZHORAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-3-8-21(9-4-1)19-31(20-22-10-5-2-6-11-22)25-13-7-12-24(18-25)26-29-27(32-30-26)23-14-16-28-17-15-23/h1-13,18,23,28H,14-17,19-20H2.
What are the key properties of N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline?
N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 424.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 58295833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).