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

C16H20ClN3O2 — CID 119493804

IUPAC[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-17-13-8-5-9-19(10-13)16(20)14-11-21-15(18-14)12-6-3-2-4-7-12;/h2-4,6-7,11,13,17H,5,8-10H2,1H3;1H
InChIKeyVKGCAYSYZWDRPZ-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.59
Rot. Bonds3

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

[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride (PubChem CID 119493804) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
PubChem CID119493804
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-17-13-8-5-9-19(10-13)16(20)14-11-21-15(18-14)12-6-3-2-4-7-12;/h2-4,6-7,11,13,17H,5,8-10H2,1H3;1H
InChIKeyVKGCAYSYZWDRPZ-UHFFFAOYSA-N
XLogP2.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone;hydrochloride
CID 119491676
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(3S,4S)-1-(2-phenyl-1,3-oxazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949165
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride (CID 119493804) is [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The InChIKey is VKGCAYSYZWDRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-17-13-8-5-9-19(10-13)16(20)14-11-21-15(18-14)12-6-3-2-4-7-12;/h2-4,6-7,11,13,17H,5,8-10H2,1H3;1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119493804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).