N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline

C22H26N4O — CID 110653399

IUPACN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCc3nnc(Cc4ccccc4)o3)cc2)CC1
InChIInChI=1S/C22H26N4O/c1-17-11-13-26(14-12-17)20-9-7-19(8-10-20)23-16-22-25-24-21(27-22)15-18-5-3-2-4-6-18/h2-10,17,23H,11-16H2,1H3
InChIKeyVJCZVOZXKWLNCG-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.51
Rot. Bonds6

About N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 110653399) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline
PubChem CID110653399
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(NCc3nnc(Cc4ccccc4)o3)cc2)CC1
InChIInChI=1S/C22H26N4O/c1-17-11-13-26(14-12-17)20-9-7-19(8-10-20)23-16-22-25-24-21(27-22)15-18-5-3-2-4-6-18/h2-10,17,23H,11-16H2,1H3
InChIKeyVJCZVOZXKWLNCG-UHFFFAOYSA-N
XLogP4.51
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-bromoaniline
CID 110653370
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 83949753
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2,4,6-trimethylaniline
CID 110653353
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621
ethane;4-methyl-1-phenylpiperidine
CID 143180672
N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 108999041
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-piperidin-1-ylaniline
CID 110652691

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline (CID 110653399) is N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(NCc3nnc(Cc4ccccc4)o3)cc2)CC1.
What is the InChIKey of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is VJCZVOZXKWLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-11-13-26(14-12-17)20-9-7-19(8-10-20)23-16-22-25-24-21(27-22)15-18-5-3-2-4-6-18/h2-10,17,23H,11-16H2,1H3.
What are the key properties of N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 362.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 110653399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).