[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

C15H18N4O2 — CID 119468783

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H18N4O2/c16-9-13-3-1-2-8-19(13)15(20)12-6-4-11(5-7-12)14-17-10-21-18-14/h4-7,10,13H,1-3,8-9,16H2
InChIKeyMAAIUAKNBOSEAO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone

[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 119468783) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID119468783
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESNCC1CCCCN1C(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C15H18N4O2/c16-9-13-3-1-2-8-19(13)15(20)12-6-4-11(5-7-12)14-17-10-21-18-14/h4-7,10,13H,1-3,8-9,16H2
InChIKeyMAAIUAKNBOSEAO-UHFFFAOYSA-N
XLogP1.69
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 129381673
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 119468657
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[2-(aminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 81482483
[2-(aminomethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119468234
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 119468783) is [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone is NCC1CCCCN1C(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is MAAIUAKNBOSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-9-13-3-1-2-8-19(13)15(20)12-6-4-11(5-7-12)14-17-10-21-18-14/h4-7,10,13H,1-3,8-9,16H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 286.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 119468783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).