N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine

C18H27N5O — CID 120752901

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
SMILESCC1CC(N(C)Cc2noc(CN)n2)CCN1Cc1ccccc1
InChIInChI=1S/C18H27N5O/c1-14-10-16(22(2)13-17-20-18(11-19)24-21-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,19H2,1-2H3
InChIKeyNFPWKWUWMSXZOA-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.01
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine (PubChem CID 120752901) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
PubChem CID120752901
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
SMILESCC1CC(N(C)Cc2noc(CN)n2)CCN1Cc1ccccc1
InChIInChI=1S/C18H27N5O/c1-14-10-16(22(2)13-17-20-18(11-19)24-21-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,19H2,1-2H3
InChIKeyNFPWKWUWMSXZOA-UHFFFAOYSA-N
XLogP2.01
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine with MolForge

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Related Compounds

(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine
CID 125141934
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
CID 120751794
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-ethylsulfanyl-N-methylcyclopentan-1-amine
CID 120752356
4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
CID 111436462
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
(2S)-3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]propane-1,2-diol
CID 126841736
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
[3-[[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752102
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine (CID 120752901) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine is CC1CC(N(C)Cc2noc(CN)n2)CCN1Cc1ccccc1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine?
The InChIKey is NFPWKWUWMSXZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-10-16(22(2)13-17-20-18(11-19)24-21-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,19H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 120752901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).