(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C15H18N4O2 — CID 119944908

IUPAC(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccccc3N)CC2)n1
InChIInChI=1S/C15H18N4O2/c1-10-17-14(21-18-10)11-6-8-19(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-9,16H2,1H3
InChIKeyLNSZXSYKPRBHSN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds2

About (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 119944908) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID119944908
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3ccccc3N)CC2)n1
InChIInChI=1S/C15H18N4O2/c1-10-17-14(21-18-10)11-6-8-19(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-9,16H2,1H3
InChIKeyLNSZXSYKPRBHSN-UHFFFAOYSA-N
XLogP1.98
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
CID 52693143
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136530737
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 136553357
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 119944908) is (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3ccccc3N)CC2)n1.
What is the InChIKey of (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is LNSZXSYKPRBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-17-14(21-18-10)11-6-8-19(9-7-11)15(20)12-4-2-3-5-13(12)16/h2-5,11H,6-9,16H2,1H3.
What are the key properties of (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 286.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119944908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).