N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline

C22H26N4O — CID 25339430

IUPACN-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
SMILESCc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C22H26N4O/c1-16-6-8-18(9-7-16)22-25-24-21(27-22)17(2)23-19-10-12-20(13-11-19)26-14-4-3-5-15-26/h6-13,17,23H,3-5,14-15H2,1-2H3/t17-/m1/s1
InChIKeyUZBAVEOZPFBJFT-QGZVFWFLSA-N
MW362.48 g/mol
LogP5.21
Rot. Bonds5

About N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline

N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline (PubChem CID 25339430) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
PubChem CID25339430
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
SMILESCc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C22H26N4O/c1-16-6-8-18(9-7-16)22-25-24-21(27-22)17(2)23-19-10-12-20(13-11-19)26-14-4-3-5-15-26/h6-13,17,23H,3-5,14-15H2,1-2H3/t17-/m1/s1
InChIKeyUZBAVEOZPFBJFT-QGZVFWFLSA-N
XLogP5.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.21
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

4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxol-5-amine
CID 25340888
1-[4-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 25346954
4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070640
4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60582852
N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 126776333
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
N-[1-(3-methylthiophen-2-yl)ethyl]-4-piperidin-1-ylaniline
CID 63992461
4-methoxy-N-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25343436

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline (CID 25339430) is N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline is Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1.
What is the InChIKey of N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline?
The InChIKey is UZBAVEOZPFBJFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-6-8-18(9-7-16)22-25-24-21(27-22)17(2)23-19-10-12-20(13-11-19)26-14-4-3-5-15-26/h6-13,17,23H,3-5,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline?
N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline has a molecular weight of 362.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 25339430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).