[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

C11H17N3O2 — CID 66334962

IUPAC[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H17N3O2/c1-8-7-13-16-10(8)11(15)14-4-2-9(6-12)3-5-14/h7,9H,2-6,12H2,1H3
InChIKeyASRBLBQAWFBJST-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.79
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 66334962) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID66334962
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cnoc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H17N3O2/c1-8-7-13-16-10(8)11(15)14-4-2-9(6-12)3-5-14/h7,9H,2-6,12H2,1H3
InChIKeyASRBLBQAWFBJST-UHFFFAOYSA-N
XLogP0.79
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 2738834
Methyl 4-((isoxazole-5-carboxamido)methyl)piperidine-1-carboxylate
CID 49754849
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 2738872
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-5-methylisoxazole-4-carboxamide
CID 71806107
N-((1-(dimethylcarbamoyl)piperidin-4-yl)methyl)isoxazole-5-carboxamide
CID 121020450
3-[[(4-Methyl-1,2-oxazole-5-carbonyl)amino]methyl]pentanoic acid
CID 81065629
N-(3-amino-2,2-difluoropropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114383762
N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 130662841
(3-Fluoroazetidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 130771056
N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-1,2-oxazole-5-carboxamide
CID 137966105
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 29105716
3,6-Diazabicyclo[3.2.2]nonan-6-yl-(4-methyl-1,2-oxazol-5-yl)methanone
CID 45111687

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone (CID 66334962) is [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is Cc1cnoc1C(=O)N1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ASRBLBQAWFBJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-7-13-16-10(8)11(15)14-4-2-9(6-12)3-5-14/h7,9H,2-6,12H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 66334962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).