4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine

C22H27N5O — CID 167866704

IUPAC4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine
SMILESNC(c1ccccc1)c1noc(CC2(N)CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H27N5O/c23-20(18-9-5-2-6-10-18)21-25-19(28-26-21)15-22(24)11-13-27(14-12-22)16-17-7-3-1-4-8-17/h1-10,20H,11-16,23-24H2
InChIKeyZGBNYLPEZJXAAV-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.65
Rot. Bonds6

About 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine

4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine (PubChem CID 167866704) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine.

Molecular Properties

Compound Name4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine
PubChem CID167866704
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine
SMILESNC(c1ccccc1)c1noc(CC2(N)CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H27N5O/c23-20(18-9-5-2-6-10-18)21-25-19(28-26-21)15-22(24)11-13-27(14-12-22)16-17-7-3-1-4-8-17/h1-10,20H,11-16,23-24H2
InChIKeyZGBNYLPEZJXAAV-UHFFFAOYSA-N
XLogP2.65
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 30898469
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
1-benzyl-4-(1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 43559187
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-amino-1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119954126
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
methyl 1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 42120342

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine?
The IUPAC name of 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine (CID 167866704) is 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine.
What is the SMILES notation for 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine?
The canonical SMILES for 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine is NC(c1ccccc1)c1noc(CC2(N)CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine?
The InChIKey is ZGBNYLPEZJXAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c23-20(18-9-5-2-6-10-18)21-25-19(28-26-21)15-22(24)11-13-27(14-12-22)16-17-7-3-1-4-8-17/h1-10,20H,11-16,23-24H2.
What are the key properties of 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine?
4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[amino(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-benzylpiperidin-4-amine is sourced from PubChem (CID 167866704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).