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

C24H31N5O — CID 137342769

IUPAC5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(N)c1nnc(NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H31N5O/c1-23(2,25)21-27-28-22(30-21)26-18-24(20-11-7-4-8-12-20)13-15-29(16-14-24)17-19-9-5-3-6-10-19/h3-12H,13-18,25H2,1-2H3,(H,26,28)
InChIKeyDOJTXCUIEDNWFF-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.91
Rot. Bonds7

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

5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 137342769) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID137342769
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)(N)c1nnc(NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C24H31N5O/c1-23(2,25)21-27-28-22(30-21)26-18-24(20-11-7-4-8-12-20)13-15-29(16-14-24)17-19-9-5-3-6-10-19/h3-12H,13-18,25H2,1-2H3,(H,26,28)
InChIKeyDOJTXCUIEDNWFF-UHFFFAOYSA-N
XLogP3.91
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
CID 827171
1-benzyl-4-(isocyanomethyl)-4-phenylpiperidine
CID 5115779
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
CID 20607368
1-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-3,5-dimethylpiperazine
CID 59395187
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
(3R,4R)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157015996

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 137342769) is 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine is CC(C)(N)c1nnc(NCC2(c3ccccc3)CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DOJTXCUIEDNWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-23(2,25)21-27-28-22(30-21)26-18-24(20-11-7-4-8-12-20)13-15-29(16-14-24)17-19-9-5-3-6-10-19/h3-12H,13-18,25H2,1-2H3,(H,26,28).
What are the key properties of 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 405.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137342769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).