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

C15H20N4O — CID 95228881

IUPAC(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESCc1cccc(-c2noc(CN[C@@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H20N4O/c1-11-4-2-5-12(8-11)15-18-14(20-19-15)10-17-13-6-3-7-16-9-13/h2,4-5,8,13,16-17H,3,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyXCNDNRNPLPMGGO-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.89
Rot. Bonds4

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

(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 95228881) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
PubChem CID95228881
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESCc1cccc(-c2noc(CN[C@@H]3CCCNC3)n2)c1
InChIInChI=1S/C15H20N4O/c1-11-4-2-5-12(8-11)15-18-14(20-19-15)10-17-13-6-3-7-16-9-13/h2,4-5,8,13,16-17H,3,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyXCNDNRNPLPMGGO-CYBMUJFWSA-N
XLogP1.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine with MolForge

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Related Compounds

3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199420
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906013
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 136570352
N-[(6-methylnaphthalen-2-yl)methyl]piperidin-3-amine
CID 115118209
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921243
2,4,6-trimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 7680685

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (CID 95228881) is (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is Cc1cccc(-c2noc(CN[C@@H]3CCCNC3)n2)c1.
What is the InChIKey of (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is XCNDNRNPLPMGGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-4-2-5-12(8-11)15-18-14(20-19-15)10-17-13-6-3-7-16-9-13/h2,4-5,8,13,16-17H,3,6-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 95228881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).