[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride

C18H24ClN3O2 — CID 119399001

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)C1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-13-16(23-17(20-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-2;/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3;1H
InChIKeyNHDFJRJPDRXOKN-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.14
Rot. Bonds4

About [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride

[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride (PubChem CID 119399001) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
PubChem CID119399001
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)C1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-13-16(23-17(20-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-2;/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3;1H
InChIKeyNHDFJRJPDRXOKN-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607744
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119396590
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride (CID 119399001) is [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride is CNCC1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The InChIKey is NHDFJRJPDRXOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-13-16(23-17(20-13)15-8-4-3-5-9-15)18(22)21-10-6-7-14(12-21)11-19-2;/h3-5,8-9,14,19H,6-7,10-12H2,1-2H3;1H.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119399001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).