[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

C14H22N2O3 — CID 43403556

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O3/c1-9(2)13-12(10(3)15-19-13)14(18)16-6-4-5-11(7-16)8-17/h9,11,17H,4-8H2,1-3H3
InChIKeyLVKKCTVTNCQHEM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.95
Rot. Bonds3

About [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 43403556) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID43403556
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H22N2O3/c1-9(2)13-12(10(3)15-19-13)14(18)16-6-4-5-11(7-16)8-17/h9,11,17H,4-8H2,1-3H3
InChIKeyLVKKCTVTNCQHEM-UHFFFAOYSA-N
XLogP1.95
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(3S)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]propanamide
CID 95292316
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 56779725
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004383
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 114778454
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
(2,6-dimethylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110675292
[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110625802
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 43403556) is [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is LVKKCTVTNCQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)13-12(10(3)15-19-13)14(18)16-6-4-5-11(7-16)8-17/h9,11,17H,4-8H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 43403556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).