[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride

C11H18ClN3O2 — CID 119543358

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccon2)CC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-12-8-9-2-5-14(6-3-9)11(15)10-4-7-16-13-10;/h4,7,9,12H,2-3,5-6,8H2,1H3;1H
InChIKeyICTHHNJQUULUFC-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.17
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride (PubChem CID 119543358) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
PubChem CID119543358
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccon2)CC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-12-8-9-2-5-14(6-3-9)11(15)10-4-7-16-13-10;/h4,7,9,12H,2-3,5-6,8H2,1H3;1H
InChIKeyICTHHNJQUULUFC-UHFFFAOYSA-N
XLogP1.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
N-[[5-[[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110119076
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543271
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride (CID 119543358) is [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride is CNCC1CCN(C(=O)c2ccon2)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride?
The InChIKey is ICTHHNJQUULUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-12-8-9-2-5-14(6-3-9)11(15)10-4-7-16-13-10;/h4,7,9,12H,2-3,5-6,8H2,1H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119543358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).