N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

C17H24N4O2 — CID 137336258

IUPACN-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCCC(COc3ccccc3C)C2)o1
InChIInChI=1S/C17H24N4O2/c1-13-6-3-4-8-15(13)22-12-14-7-5-9-21(11-14)17-20-19-16(23-17)10-18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3
InChIKeyGCQVUFVSLNPTFN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.39
Rot. Bonds6

About N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine

N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 137336258) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID137336258
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCCC(COc3ccccc3C)C2)o1
InChIInChI=1S/C17H24N4O2/c1-13-6-3-4-8-15(13)22-12-14-7-5-9-21(11-14)17-20-19-16(23-17)10-18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3
InChIKeyGCQVUFVSLNPTFN-UHFFFAOYSA-N
XLogP2.39
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine 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

1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962399
N-[[5-[3-(methoxymethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106959508
6-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72914782
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 106965704
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
CID 170363947
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97269555
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
3-benzyl-5-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45251270
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine (CID 137336258) is N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(N2CCCC(COc3ccccc3C)C2)o1.
What is the InChIKey of N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is GCQVUFVSLNPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-6-3-4-8-15(13)22-12-14-7-5-9-21(11-14)17-20-19-16(23-17)10-18-2/h3-4,6,8,14,18H,5,7,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 137336258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).